 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Chair_STD_B3LYPDBJ-augccpVDZr.in
 Output=25_methylisochromane_Chair_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/25_methylisochromane_Chair_STD/Gau-15794.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/25_methylisochromane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     15798.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=25_methylisochromane_Chair_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:21:58 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.475896000000      1.063550000000     -0.098164000000
  C                                                 2.818875000000     -0.266215000000      0.119370000000
  C                                                 1.142334000000      1.417940000000     -0.238522000000
  C                                                 0.125866000000      0.463720000000     -0.164411000000
  C                                                 0.479308000000     -0.873519000000      0.040878000000
  C                                                 1.819829000000     -1.224692000000      0.185806000000
  C                                                -1.334336000000      0.847139000000     -0.328494000000
  C                                                -2.230548000000     -0.293378000000      0.146590000000
  O                                                -1.828910000000     -1.535993000000     -0.399339000000
  C                                                -0.581007000000     -1.944665000000      0.122977000000
  H                                                 3.245503000000      1.822195000000     -0.159561000000
  H                                                 3.856711000000     -0.553358000000      0.228132000000
  H                                                 0.889253000000      2.456036000000     -0.408732000000
  H                                                 2.081007000000     -2.265247000000      0.343936000000
  H                                                -1.525132000000      0.979693000000     -1.399895000000
  C                                                -1.715470000000      2.141812000000      0.391759000000
  H                                                -3.260415000000     -0.130838000000     -0.172010000000
  H                                                -2.217846000000     -0.344198000000      1.246196000000
  H                                                -0.278754000000     -2.821206000000     -0.451456000000
  H                                                -0.704522000000     -2.261367000000      1.170694000000
  H                                                -1.478710000000      2.079067000000      1.455920000000
  H                                                -2.786635000000      2.330893000000      0.291531000000
  H                                                -1.193667000000      3.006125000000     -0.016779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 18:21:59 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.390407   0.000000
     3  C    1.386968   2.403176   0.000000
     4  C    2.426278   2.804574   1.396150   0.000000
     5  C    2.785307   2.418378   2.401760   1.398311   0.000000
     6  C    2.397314   1.386068   2.760898   2.417209   1.393314
     7  C    3.823317   4.323112   2.543188   1.518593   2.527134
     8  C    4.904261   5.049569   3.801743   2.494515   2.773276
     9  O    5.037825   4.845957   4.192836   2.806277   2.441420
    10  C    4.294522   3.791623   3.795747   2.526377   1.509424
    11  H    1.082408   2.149714   2.143123   3.402589   3.867672
    12  H    2.151165   1.082305   3.386979   3.886868   3.397708
    13  H    2.133754   3.378311   1.081973   2.147504   3.384692
    14  H    3.381165   2.142664   3.845287   3.395328   2.143406
    15  H    4.208297   4.767688   2.942146   2.125663   3.086746
    16  C    4.355482   5.141311   3.014679   2.552614   3.745983
    17  H    5.859802   6.087774   4.667691   3.438089   3.818694
    18  H    5.081365   5.161819   4.074350   2.852285   3.001268
    19  H    4.775379   4.055752   4.476069   3.322176   2.147216
    20  H    4.772854   4.183329   4.351329   3.146132   2.145707
    21  H    4.368679   5.075032   3.190313   2.794545   3.814963
    22  H    5.426993   6.180320   4.068321   3.489539   4.582299
    23  H    4.152820   5.179502   2.833444   2.868237   4.225377
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.808641   0.000000
     8  C    4.156253   1.526329   0.000000
     9  O    3.708450   2.434942   1.415431   0.000000
    10  C    2.507254   2.926688   2.334158   1.413184   0.000000
    11  H    3.381619   4.685531   5.878479   6.089712   5.376917
    12  H    2.145080   5.405386   6.093354   5.803928   4.651896
    13  H    3.842812   2.745785   4.195333   4.829575   4.670176
    14  H    1.084423   4.669441   4.745179   4.046198   2.690337
    15  H    4.308425   1.096300   2.123661   2.724348   3.429633
    16  C    4.886113   1.529773   2.501112   3.763636   4.249535
    17  H    5.208976   2.165804   1.090207   2.018749   3.249033
    18  H    4.266441   2.163220   1.100853   2.068679   2.549972
    19  H    2.712750   3.819179   3.249165   2.014317   1.090713
    20  H    2.901215   3.508139   2.692680   2.062867   1.101484
    21  H    4.838220   2.173160   2.812135   4.078392   4.332785
    22  H    5.820041   2.166825   2.686455   4.043185   4.813897
    23  H    5.198270   2.185904   3.462446   4.602252   4.990512
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483371   0.000000
    13  H    2.452704   4.274091   0.000000
    14  H    4.279806   2.469230   4.927200   0.000000
    15  H    5.000720   5.827946   2.998541   5.155077   0.000000
    16  C    5.001736   6.191923   2.743010   5.817018   2.144009
    17  H    6.792751   7.140877   4.895682   5.775179   2.398372
    18  H    6.042979   6.162828   4.498240   4.794230   3.038805
    19  H    5.836674   4.765191   5.405122   2.551511   4.110940
    20  H    5.835045   4.960904   5.223849   2.905635   4.217321
    21  H    4.999395   6.074853   3.037479   5.725483   3.060467
    22  H    6.070333   7.242718   3.744086   6.694863   2.505604
    23  H    4.596554   6.183544   2.189699   6.216186   2.475743
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.805286   0.000000
    18  H    2.676320   1.773071   0.000000
    19  H    5.235142   4.025726   3.574587   0.000000
    20  H    4.584402   3.588119   2.443642   1.768069   0.000000
    21  H    1.091985   3.272355   2.542149   5.393575   4.418154
    22  H    1.092333   2.549403   2.896725   5.778029   5.118298
    23  H    1.089137   3.759798   3.724072   5.914710   5.421792
                   21         22         23
    21  H    0.000000
    22  H    1.769148   0.000000
    23  H    1.763385   1.757424   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8103692           1.0572860           0.6960413
 Leave Link  202 at Thu Jul  8 18:21:59 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 404 were deleted.
 There are   383 symmetry adapted cartesian basis functions of A   symmetry.
 There are   361 symmetry adapted basis functions of A   symmetry.
   361 basis functions,   661 primitive gaussians,   383 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       605.7646973284 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0436667127 Hartrees.
 Nuclear repulsion after empirical dispersion term =      605.7210306157 Hartrees.
 Leave Link  301 at Thu Jul  8 18:22:02 2021, MaxMem= 10737418240 cpu:              34.1 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   361 RedAO= T EigKep=  1.12D-06  NBF=   361
 NBsUse=   361 1.00D-06 EigRej= -1.00D+00 NBFU=   361
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   383   383   383   383   383 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Thu Jul  8 18:22:03 2021, MaxMem= 10737418240 cpu:               9.9 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:22:03 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Chair_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:22:04 2021, MaxMem= 10737418240 cpu:              10.2 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737115031 LenY= 10736967901
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.599325980929    
 DIIS: error= 1.60D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.599325980929     IErMin= 1 ErrMin= 1.60D-03
 ErrMax= 1.60D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.78D-03 BMatP= 4.78D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.60D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.228 Goal=   None    Shift=    0.000
 GapD=    0.228 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.24D-02 MaxDP=6.54D+00              OVMax= 1.44D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.97D-02    CP:  1.59D+00
 E= -463.603452432727     Delta-E=       -0.004126451798 Rises=F Damp=F
 DIIS: error= 2.46D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.603452432727     IErMin= 2 ErrMin= 2.46D-04
 ErrMax= 2.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.75D-05 BMatP= 4.78D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.46D-03
 Coeff-Com:  0.219D-01 0.978D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.218D-01 0.978D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=2.80D-03 MaxDP=2.33D-01 DE=-4.13D-03 OVMax= 3.74D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.18D-04    CP:  1.60D+00  1.04D+00
 E= -463.603374386939     Delta-E=        0.000078045788 Rises=F Damp=F
 DIIS: error= 4.04D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -463.603452432727     IErMin= 2 ErrMin= 2.46D-04
 ErrMax= 4.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-04 BMatP= 9.75D-05
 IDIUse=3 WtCom= 3.32D-01 WtEn= 6.68D-01
 Coeff-Com: -0.675D-02 0.601D+00 0.406D+00
 Coeff-En:   0.000D+00 0.646D+00 0.354D+00
 Coeff:     -0.224D-02 0.631D+00 0.371D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=2.46D-04 MaxDP=1.17D-02 DE= 7.80D-05 OVMax= 2.45D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.51D-04    CP:  1.60D+00  1.04D+00  9.76D-01
 E= -463.603534813320     Delta-E=       -0.000160426380 Rises=F Damp=F
 DIIS: error= 2.68D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.603534813320     IErMin= 4 ErrMin= 2.68D-05
 ErrMax= 2.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-06 BMatP= 9.75D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.420D-02 0.180D+00 0.103D+00 0.721D+00
 Coeff:     -0.420D-02 0.180D+00 0.103D+00 0.721D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.27D-04 MaxDP=5.67D-03 DE=-1.60D-04 OVMax= 2.61D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.13D-05    CP:  1.60D+00  1.04D+00  9.71D-01  1.17D+00
 E= -463.603535774116     Delta-E=       -0.000000960796 Rises=F Damp=F
 DIIS: error= 1.82D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.603535774116     IErMin= 5 ErrMin= 1.82D-05
 ErrMax= 1.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-07 BMatP= 1.16D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-02 0.248D-01 0.114D-01 0.360D+00 0.605D+00
 Coeff:     -0.117D-02 0.248D-01 0.114D-01 0.360D+00 0.605D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.86D-05 MaxDP=1.04D-03 DE=-9.61D-07 OVMax= 1.81D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.42D-05    CP:  1.60D+00  1.04D+00  9.79D-01  1.17D+00  8.95D-01
 E= -463.603536086616     Delta-E=       -0.000000312500 Rises=F Damp=F
 DIIS: error= 5.19D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.603536086616     IErMin= 6 ErrMin= 5.19D-06
 ErrMax= 5.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-08 BMatP= 3.05D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.435D-03 0.459D-02 0.178D-02 0.160D+00 0.328D+00 0.506D+00
 Coeff:     -0.435D-03 0.459D-02 0.178D-02 0.160D+00 0.328D+00 0.506D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=4.41D-06 MaxDP=2.68D-04 DE=-3.13D-07 OVMax= 9.42D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.91D-06    CP:  1.60D+00  1.04D+00  9.81D-01  1.17D+00  9.21D-01
                    CP:  1.02D+00
 E= -463.603536110284     Delta-E=       -0.000000023668 Rises=F Damp=F
 DIIS: error= 2.06D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.603536110284     IErMin= 7 ErrMin= 2.06D-06
 ErrMax= 2.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.92D-09 BMatP= 2.55D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.667D-04-0.164D-02-0.613D-03 0.334D-01 0.957D-01 0.318D+00
 Coeff-Com:  0.555D+00
 Coeff:     -0.667D-04-0.164D-02-0.613D-03 0.334D-01 0.957D-01 0.318D+00
 Coeff:      0.555D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=2.54D-06 MaxDP=1.49D-04 DE=-2.37D-08 OVMax= 3.14D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.32D-06    CP:  1.60D+00  1.04D+00  9.81D-01  1.18D+00  9.07D-01
                    CP:  9.86D-01  7.08D-01
 E= -463.603536115568     Delta-E=       -0.000000005283 Rises=F Damp=F
 DIIS: error= 3.28D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.603536115568     IErMin= 8 ErrMin= 3.28D-07
 ErrMax= 3.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.29D-10 BMatP= 4.92D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.479D-05-0.838D-03-0.184D-03 0.196D-02 0.165D-01 0.824D-01
 Coeff-Com:  0.208D+00 0.693D+00
 Coeff:      0.479D-05-0.838D-03-0.184D-03 0.196D-02 0.165D-01 0.824D-01
 Coeff:      0.208D+00 0.693D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=5.43D-07 MaxDP=3.98D-05 DE=-5.28D-09 OVMax= 4.23D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.69D-07    CP:  1.60D+00  1.04D+00  9.82D-01  1.18D+00  9.07D-01
                    CP:  9.91D-01  7.21D-01  9.58D-01
 E= -463.603536115709     Delta-E=       -0.000000000141 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.603536115709     IErMin= 9 ErrMin= 1.74D-07
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-11 BMatP= 1.29D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.659D-05-0.317D-03-0.236D-04-0.149D-02 0.206D-02 0.204D-01
 Coeff-Com:  0.704D-01 0.384D+00 0.525D+00
 Coeff:      0.659D-05-0.317D-03-0.236D-04-0.149D-02 0.206D-02 0.204D-01
 Coeff:      0.704D-01 0.384D+00 0.525D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.59D-07 MaxDP=9.12D-06 DE=-1.41D-10 OVMax= 1.88D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.89D-08    CP:  1.60D+00  1.04D+00  9.82D-01  1.18D+00  9.07D-01
                    CP:  9.92D-01  7.31D-01  9.74D-01  9.46D-01
 E= -463.603536115678     Delta-E=        0.000000000031 Rises=F Damp=F
 DIIS: error= 3.44D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -463.603536115709     IErMin=10 ErrMin= 3.44D-08
 ErrMax= 3.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.52D-12 BMatP= 2.57D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.331D-05-0.118D-03 0.122D-05-0.101D-02-0.104D-03 0.507D-02
 Coeff-Com:  0.232D-01 0.154D+00 0.276D+00 0.543D+00
 Coeff:      0.331D-05-0.118D-03 0.122D-05-0.101D-02-0.104D-03 0.507D-02
 Coeff:      0.232D-01 0.154D+00 0.276D+00 0.543D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=4.21D-08 MaxDP=2.82D-06 DE= 3.07D-11 OVMax= 7.22D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.02D-08    CP:  1.60D+00  1.04D+00  9.82D-01  1.18D+00  9.08D-01
                    CP:  9.92D-01  7.31D-01  9.75D-01  9.46D-01  9.08D-01
 E= -463.603536115577     Delta-E=        0.000000000101 Rises=F Damp=F
 DIIS: error= 1.56D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -463.603536115709     IErMin=11 ErrMin= 1.56D-08
 ErrMax= 1.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-13 BMatP= 1.52D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.770D-06-0.170D-04 0.717D-05-0.315D-03-0.305D-03-0.209D-03
 Coeff-Com:  0.251D-02 0.278D-01 0.800D-01 0.329D+00 0.562D+00
 Coeff:      0.770D-06-0.170D-04 0.717D-05-0.315D-03-0.305D-03-0.209D-03
 Coeff:      0.251D-02 0.278D-01 0.800D-01 0.329D+00 0.562D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=1.96D-08 MaxDP=1.50D-06 DE= 1.01D-10 OVMax= 2.59D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.04D-08    CP:  1.60D+00  1.04D+00  9.82D-01  1.18D+00  9.08D-01
                    CP:  9.92D-01  7.31D-01  9.79D-01  9.57D-01  9.03D-01
                    CP:  7.38D-01
 E= -463.603536115614     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 4.35D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin= 9 EnMin= -463.603536115709     IErMin=12 ErrMin= 4.35D-09
 ErrMax= 4.35D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-14 BMatP= 2.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.853D-07 0.282D-05 0.351D-05-0.680D-04-0.170D-03-0.664D-03
 Coeff-Com: -0.106D-02-0.186D-02 0.131D-01 0.113D+00 0.295D+00 0.582D+00
 Coeff:      0.853D-07 0.282D-05 0.351D-05-0.680D-04-0.170D-03-0.664D-03
 Coeff:     -0.106D-02-0.186D-02 0.131D-01 0.113D+00 0.295D+00 0.582D+00
 Gap=     0.225 Goal=   None    Shift=    0.000
 RMSDP=6.70D-09 MaxDP=3.02D-07 DE=-3.73D-11 OVMax= 4.67D-08

 SCF Done:  E(RB3LYP) =  -463.603536116     A.U. after   12 cycles
            NFock= 12  Conv=0.67D-08     -V/T= 2.0059
 KE= 4.608862137582D+02 PE=-2.288446979890D+03 EE= 7.582361994003D+02
 Leave Link  502 at Thu Jul  8 18:24:30 2021, MaxMem= 10737418240 cpu:            2319.3 elap:             145.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   361
 NBasis=   361 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    361 NOA=    40 NOB=    40 NVA=   321 NVB=   321

 **** Warning!!: The largest alpha MO coefficient is  0.15438447D+03

 Leave Link  801 at Thu Jul  8 18:24:30 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7107 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.14D-13 8.33D-09 XBig12= 1.00D+00 5.13D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.14D-13 8.33D-09 XBig12= 4.30D-01 1.08D-01.
     11 vectors produced by pass  2 Test12= 2.14D-13 8.33D-09 XBig12= 6.24D-02 6.02D-02.
     11 vectors produced by pass  3 Test12= 2.14D-13 8.33D-09 XBig12= 5.63D-03 1.61D-02.
     11 vectors produced by pass  4 Test12= 2.14D-13 8.33D-09 XBig12= 8.76D-04 8.74D-03.
     11 vectors produced by pass  5 Test12= 2.14D-13 8.33D-09 XBig12= 4.02D-05 1.15D-03.
     11 vectors produced by pass  6 Test12= 2.14D-13 8.33D-09 XBig12= 1.05D-06 1.39D-04.
     11 vectors produced by pass  7 Test12= 2.14D-13 8.33D-09 XBig12= 1.33D-08 1.43D-05.
     11 vectors produced by pass  8 Test12= 2.14D-13 8.33D-09 XBig12= 1.69D-10 2.12D-06.
      8 vectors produced by pass  9 Test12= 2.14D-13 8.33D-09 XBig12= 1.57D-12 2.82D-07.
      4 vectors produced by pass 10 Test12= 2.14D-13 8.33D-09 XBig12= 5.01D-14 4.12D-08.
      1 vectors produced by pass 11 Test12= 2.14D-13 8.33D-09 XBig12= 9.78D-15 9.21D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.153937D+03
      2 -0.278520D+01  0.136371D+03
      3  0.792208D+00 -0.485276D+01  0.858122D+02
 Isotropic polarizability for W=    0.085645      125.37 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.136811D+03  0.868316D+01 -0.712910D+01
      2  -0.739199D+02  0.185358D+02 -0.138384D+02
      3  -0.628913D+02 -0.272189D+02  0.209675D+02
      4   0.591098D+02  0.631776D+02 -0.187499D+02
      5   0.169502D+02 -0.192276D+02 -0.110472D+02
      6  -0.497879D+01  0.135241D+02  0.193406D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.487463D+01 -0.272467D-01 -0.120416D+02
      2   0.600815D+01 -0.128260D+02 -0.195870D+01
      3   0.747632D+01 -0.483802D+02  0.974476D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.477685D+00  0.273624D+02 -0.465595D+02
      2  -0.240793D+02 -0.137711D+02  0.518440D+02
      3   0.504266D+02 -0.137098D+03  0.142488D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.166005D+01 -0.108483D+01  0.162469D+01
      2  -0.108483D+01  0.386692D+01  0.192805D+01
      3   0.162469D+01  0.192805D+01 -0.413492D+00
 OR G Eigenvalues:    -3.3425     0.4959     4.6400  Iso=    -0.5978
 Eigenvectors:
   (1)   0.753560   0.273285  -0.597882
   (2)   0.653017  -0.206589   0.728622
   (3)  -0.075606   0.939487   0.334137
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5978 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =     -191.30 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   65341 ScalPx= 2.50D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.87D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.57D-14 2.78D-09 XBig12= 1.00D+00 3.87D-01.
     30 vectors produced by pass  1 Test12= 3.57D-14 2.78D-09 XBig12= 2.86D-02 4.10D-02.
     30 vectors produced by pass  2 Test12= 3.57D-14 2.78D-09 XBig12= 7.63D-04 5.46D-03.
     30 vectors produced by pass  3 Test12= 3.57D-14 2.78D-09 XBig12= 1.32D-05 4.11D-04.
     30 vectors produced by pass  4 Test12= 3.57D-14 2.78D-09 XBig12= 1.42D-07 4.92D-05.
     30 vectors produced by pass  5 Test12= 3.57D-14 2.78D-09 XBig12= 1.25D-09 4.28D-06.
     30 vectors produced by pass  6 Test12= 3.57D-14 2.78D-09 XBig12= 3.70D-12 1.84D-07.
      9 vectors produced by pass  7 Test12= 3.57D-14 2.78D-09 XBig12= 1.28D-14 1.01D-08.
      4 vectors produced by pass  8 Test12= 3.57D-14 2.78D-09 XBig12= 2.56D-15 6.21D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 6.33D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 6.33D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.16D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153937D+03 -0.278520D+01  0.792208D+00
      2  -0.278520D+01  0.136371D+03 -0.485276D+01
      3   0.792208D+00 -0.485276D+01  0.858122D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.487463D+01 -0.272467D-01 -0.120416D+02
      2   0.600815D+01 -0.128260D+02 -0.195870D+01
      3   0.747632D+01 -0.483802D+02  0.974476D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.136811D+03  0.868316D+01 -0.712910D+01
      2  -0.739199D+02  0.185358D+02 -0.138384D+02
      3  -0.628913D+02 -0.272189D+02  0.209675D+02
      4   0.591098D+02  0.631776D+02 -0.187499D+02
      5   0.169502D+02 -0.192276D+02 -0.110472D+02
      6  -0.497879D+01  0.135241D+02  0.193406D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.843210D+00  0.196665D+01 -0.782442D+00  0.603529D+01 -0.792443D+00
      2   0.196665D+01  0.228610D+01 -0.216094D+00 -0.792443D+00  0.248181D+01
      3  -0.782442D+00 -0.216094D+00  0.218764D+01  0.102651D+01  0.444044D+00
                 6             7             8             9            10 
      1   0.102651D+01 -0.139775D+01  0.644299D+00  0.416458D+01  0.584287D+01
      2   0.444044D+00  0.644299D+00  0.820745D+00  0.341923D+01 -0.114515D+01
      3   0.255679D+01  0.416458D+01  0.341923D+01 -0.884617D+00 -0.288376D+00
                11            12            13            14            15 
      1  -0.114515D+01 -0.288376D+00 -0.238563D+01 -0.232146D+01  0.959621D+00
      2   0.298266D+01  0.938695D-01 -0.232146D+01 -0.275068D+01  0.927054D-01
      3   0.938695D-01  0.306067D+01  0.959621D+00  0.927054D-01 -0.108117D+01
                16            17            18            19            20 
      1   0.804533D-01  0.105071D+01  0.557085D+01  0.152562D+01 -0.547575D+01
      2   0.105071D+01  0.363554D+00 -0.132361D+01 -0.547575D+01 -0.125680D+01
      3   0.557085D+01 -0.132361D+01  0.120171D+01  0.799726D+00 -0.171802D+00
                21            22            23            24            25 
      1   0.799726D+00  0.542288D+01 -0.127023D+01  0.123248D+00  0.408459D-01
      2  -0.171802D+00 -0.127023D+01  0.259233D+01  0.606674D+00 -0.270621D+00
      3  -0.109900D+01  0.123248D+00  0.606674D+00  0.204496D+01 -0.102121D+00
                26            27            28            29            30 
      1  -0.270621D+00 -0.102121D+00 -0.149317D+02  0.527788D+01 -0.170057D+01
      2   0.393975D+00  0.382602D+01  0.527788D+01 -0.523559D+01  0.783038D+00
      3   0.382602D+01 -0.185938D+01 -0.170057D+01  0.783038D+00 -0.190858D+01
                31            32            33            34            35 
      1   0.867178D+01  0.250429D+01 -0.238308D+00 -0.118354D+01 -0.656165D+00
      2   0.250429D+01  0.245290D+01  0.143152D+00 -0.656165D+00 -0.964087D-01
      3  -0.238308D+00  0.143152D+00  0.300521D-01 -0.295739D+01  0.129587D+01
                36            37            38            39            40 
      1  -0.295739D+01 -0.179822D+00 -0.455986D+01  0.606835D+00 -0.138849D+02
      2   0.129587D+01 -0.455986D+01 -0.714722D+01  0.108259D+01 -0.322012D+01
      3  -0.139797D+01  0.606835D+00  0.108259D+01 -0.154805D+01  0.236584D+00
                41            42            43            44            45 
      1  -0.322012D+01  0.236584D+00  0.224199D+01 -0.822702D-01 -0.198379D+01
      2  -0.714552D+01  0.136102D+00 -0.822702D-01 -0.207653D+00 -0.302285D+01
      3   0.136102D+00 -0.792166D+00 -0.198379D+01 -0.302285D+01  0.738888D+00
                46            47            48            49            50 
      1  -0.362193D+01  0.418973D+01 -0.625462D+00 -0.485960D+01  0.865392D+00
      2   0.418973D+01  0.313421D+01 -0.128429D+00  0.865392D+00 -0.783259D+00
      3  -0.625462D+00 -0.128429D+00 -0.290832D+00  0.542073D-01 -0.666622D+00
                51            52            53            54            55 
      1   0.542073D-01 -0.823621D-01  0.833077D+00  0.169671D+01  0.368983D+01
      2  -0.666622D+00  0.833077D+00 -0.304235D+00 -0.375083D+01 -0.998636D+00
      3  -0.254903D+01  0.169671D+01 -0.375083D+01  0.140993D+01  0.977893D+00
                56            57            58            59            60 
      1  -0.998636D+00  0.977893D+00 -0.130943D+01  0.463743D+01 -0.586099D+00
      2   0.354776D+01 -0.344989D+00  0.463743D+01 -0.217629D+01 -0.194884D+01
      3  -0.344989D+00  0.216441D+01 -0.586099D+00 -0.194884D+01 -0.942474D+00
                61            62            63            64            65 
      1   0.325469D+01 -0.734514D+00  0.329067D+01  0.727877D+01 -0.185984D+01
      2  -0.734514D+00 -0.224620D+01 -0.136774D+01 -0.185984D+01 -0.264362D+01
      3   0.329067D+01 -0.136774D+01  0.856654D+01  0.182102D+01  0.217557D-03
                66            67            68            69            70 
      1   0.182102D+01 -0.477929D+01 -0.143818D+01  0.761141D+00  0.211399D+01
      2   0.217557D-03 -0.143818D+01  0.142340D+01  0.129595D+01  0.100968D+00
      3  -0.371309D+00  0.761141D+00  0.129595D+01 -0.749599D+00  0.215362D+01
                71            72            73            74            75 
      1   0.100968D+00  0.215362D+01 -0.526557D+01 -0.145289D+01 -0.152138D+01
      2   0.181673D+01  0.496410D+00 -0.145289D+01  0.903160D+00 -0.126204D+01
      3   0.496410D+00 -0.827823D+01 -0.152138D+01 -0.126204D+01  0.335027D+00
                76            77            78            79            80 
      1   0.994587D+00 -0.139783D+01 -0.698408D+00 -0.159603D+01  0.359010D+00
      2  -0.139783D+01 -0.509848D+01 -0.136624D+01  0.359010D+00 -0.115870D+01
      3  -0.698408D+00 -0.136624D+01  0.311111D+00 -0.185866D+01 -0.218678D+01
                81            82            83            84            85 
      1  -0.185866D+01  0.333429D+01  0.966769D+00  0.953390D-01  0.157272D+01
      2  -0.218678D+01  0.966769D+00 -0.109505D+01 -0.569285D+00  0.328909D+01
      3   0.220475D+00  0.953390D-01 -0.569285D+00 -0.530188D-01 -0.147023D+01
                86            87            88            89            90 
      1   0.328909D+01 -0.147023D+01 -0.131547D+01 -0.333538D+01  0.239105D+01
      2   0.920769D+01  0.186634D+00 -0.333538D+01 -0.162511D+01  0.644950D+01
      3   0.186634D+00  0.234056D+01  0.239105D+01  0.644950D+01 -0.572924D+01
                91            92            93            94            95 
      1   0.715116D+01  0.455371D+01 -0.342411D+00  0.455020D+01  0.460652D+01
      2   0.455371D+01  0.342472D+01 -0.197879D+00  0.460652D+01  0.530736D+01
      3  -0.342411D+00 -0.197879D+00  0.544511D+00 -0.535725D+00 -0.524581D+00
                96            97            98            99           100 
      1  -0.535725D+00 -0.213696D+00 -0.372465D+00 -0.674764D-01  0.132696D+02
      2  -0.524581D+00 -0.372465D+00 -0.596609D+00 -0.934701D-02 -0.255025D+01
      3   0.558180D+00 -0.674764D-01 -0.934701D-02 -0.309500D-01  0.106033D+01
               101           102           103           104           105 
      1  -0.255025D+01  0.106033D+01 -0.265901D+01  0.218798D+01 -0.457551D+00
      2   0.115371D+01 -0.194013D+00  0.218798D+01 -0.109313D+01  0.242863D+00
      3  -0.194013D+00  0.795979D+00 -0.457551D+00  0.242863D+00 -0.262409D+00
               106           107           108           109           110 
      1   0.111651D+01 -0.527376D+00 -0.203999D-01 -0.101189D+01  0.152708D+01
      2  -0.527376D+00  0.119486D+00 -0.277353D-01  0.152708D+01 -0.972474D+00
      3  -0.203999D-01 -0.277353D-01  0.586527D-01 -0.116023D+00  0.159828D+00
               111           112           113           114           115 
      1  -0.116023D+00  0.130015D+01 -0.110258D+01  0.959650D-01 -0.292424D+00
      2   0.159828D+00 -0.110258D+01  0.898046D+01 -0.141853D+01  0.267807D+00
      3  -0.290786D-01  0.959650D-01 -0.141853D+01  0.872249D+00  0.449696D-01
               116           117           118           119           120 
      1   0.267807D+00  0.449696D-01  0.147604D+01 -0.200413D+01  0.293273D+00
      2  -0.152138D+01  0.266769D+00 -0.200413D+01  0.228000D+01 -0.362862D+00
      3   0.266769D+00 -0.255715D+00  0.293273D+00 -0.362862D+00  0.353504D+00
               121           122           123           124           125 
      1  -0.195640D+01  0.306975D+01 -0.440045D+00  0.510904D+00 -0.489102D+00
      2   0.306975D+01 -0.100134D+02  0.130597D+01 -0.489102D+00  0.140052D+01
      3  -0.440045D+00  0.130597D+01 -0.869012D+00  0.156931D+00 -0.311912D+00
               126           127           128           129           130 
      1   0.156931D+00 -0.256882D+01  0.387636D+00 -0.193365D+01  0.939898D+00
      2  -0.311912D+00  0.387636D+00 -0.702983D+00  0.347403D+00 -0.185781D+01
      3   0.222966D+00 -0.193365D+01  0.347403D+00 -0.176697D+01  0.486633D+00
               131           132           133           134           135 
      1  -0.185781D+01  0.486633D+00 -0.537453D+01  0.153098D+01 -0.355907D+01
      2   0.153089D+01 -0.972423D+00  0.153098D+01 -0.165096D+01  0.152467D+01
      3  -0.972423D+00  0.860643D+00 -0.355907D+01  0.152467D+01 -0.895782D+01
               136           137           138           139           140 
      1   0.871115D+01 -0.357912D+01  0.106023D+01 -0.282466D+00 -0.379780D+01
      2  -0.357912D+01 -0.241521D+01 -0.870666D-02 -0.379780D+01  0.676322D+00
      3   0.106023D+01 -0.870666D-02 -0.182938D+01  0.556956D-01  0.299349D+01
               141           142           143           144           145 
      1   0.556956D-01  0.181779D+01 -0.972929D+00 -0.144023D+01 -0.124261D+02
      2   0.299349D+01 -0.972929D+00  0.410540D+01 -0.291111D+00  0.611763D+00
      3   0.361329D+00 -0.144023D+01 -0.291111D+00 -0.581572D+01 -0.145872D+01
               146           147           148           149           150 
      1   0.611763D+00 -0.145872D+01  0.186298D+01 -0.137306D+01  0.138273D+00
      2  -0.985308D+00  0.224895D-01 -0.137306D+01  0.395479D+00 -0.403908D+00
      3   0.224895D-01 -0.105785D+01  0.138273D+00 -0.403908D+00 -0.163035D-01
               151           152           153           154           155 
      1  -0.313653D+01  0.183574D+00 -0.182689D+01 -0.122739D+01  0.471682D-01
      2   0.183574D+00 -0.733174D+00  0.322376D-01  0.471682D-01  0.382211D+00
      3  -0.182689D+01  0.322376D-01 -0.356750D+00  0.106647D+01  0.149245D-01
               156           157           158           159           160 
      1   0.106647D+01  0.179056D+00 -0.307942D+00 -0.758593D-01  0.216808D+01
      2   0.149245D-01 -0.307942D+00 -0.197173D+00  0.107551D+01 -0.468847D-01
      3   0.270839D+00 -0.758593D-01  0.107551D+01 -0.368412D+00 -0.291166D+01
               161           162           163           164           165 
      1  -0.468847D-01 -0.291166D+01  0.814201D+00 -0.729631D+00 -0.616943D+00
      2   0.154001D+01 -0.195314D+00 -0.729631D+00  0.246866D+01  0.604841D+00
      3  -0.195314D+00  0.805514D+01 -0.616943D+00  0.604841D+00  0.239384D+00
               166           167           168           169           170 
      1  -0.159411D+01 -0.718699D+00  0.188900D+00 -0.886665D+00  0.207836D+00
      2  -0.718699D+00 -0.993566D+01 -0.241708D+01  0.207836D+00 -0.395475D+01
      3   0.188900D+00 -0.241708D+01 -0.163033D+01 -0.239172D+00 -0.291564D+01
               171           172           173           174           175 
      1  -0.239172D+00 -0.153102D+01 -0.114307D+01  0.145409D+01 -0.797823D+00
      2  -0.291564D+01 -0.114307D+01 -0.338533D+00  0.571361D+00 -0.146525D+01
      3  -0.136570D+01  0.145409D+01  0.571361D+00 -0.101976D+01  0.653886D+00
               176           177           178           179           180 
      1  -0.146525D+01  0.653886D+00  0.325428D+01  0.224188D+01 -0.171871D+01
      2  -0.467918D+01  0.235895D+01  0.224188D+01  0.520133D+01 -0.525994D+01
      3   0.235895D+01 -0.174684D+01 -0.171871D+01 -0.525994D+01  0.738280D+01
               181           182           183           184           185 
      1  -0.202546D+00  0.304852D+00  0.748404D+00 -0.378600D+00  0.411779D+00
      2   0.304852D+00  0.727346D+00  0.248151D+00  0.411779D+00  0.204855D+00
      3   0.748404D+00  0.248151D+00  0.127960D+01  0.763387D-01  0.484587D+00
               186           187           188           189           190 
      1   0.763387D-01  0.128227D+01 -0.445656D+00 -0.142767D+00 -0.116014D+02
      2   0.484587D+00 -0.445656D+00  0.171896D+01  0.150041D+01  0.454362D+01
      3  -0.192303D+00 -0.142767D+00  0.150041D+01  0.738657D+01  0.469127D-02
               191           192           193           194           195 
      1   0.454362D+01  0.469127D-02  0.190453D+01 -0.158805D+01  0.133416D-01
      2  -0.306067D+01 -0.242220D+00 -0.158805D+01  0.145473D+01 -0.295866D+00
      3  -0.242220D+00 -0.103598D+01  0.133416D-01 -0.295866D+00  0.144782D+00
               196           197           198           199           200 
      1  -0.129950D+01  0.465471D+00 -0.110439D+01  0.631441D+00  0.112149D+01
      2   0.465471D+00 -0.878574D+00  0.575924D+00  0.112149D+01  0.256293D+01
      3  -0.110439D+01  0.575924D+00  0.170956D+00 -0.602325D+00 -0.230396D+00
               201           202           203           204           205 
      1  -0.602325D+00  0.145317D+01  0.107923D+01 -0.368119D+00 -0.110329D+01
      2  -0.230396D+00  0.107923D+01  0.716452D+01 -0.135254D+01  0.477563D-01
      3   0.778243D+00 -0.368119D+00 -0.135254D+01  0.111938D+01  0.463349D+00
               206           207 
      1   0.477563D-01  0.463349D+00
      2  -0.250697D+01  0.127577D+01
      3   0.127577D+01 -0.482539D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.105844D+01 -0.131786D+00 -0.469488D+01 -0.171153D+01  0.796058D-01
      2  -0.122316D+01 -0.190666D+01  0.474267D+01  0.145036D+01  0.254474D+01
      3  -0.505912D+01 -0.141811D+02  0.120268D+01  0.737201D+01 -0.865920D+00
                 6             7             8             9            10 
      1  -0.612841D+00 -0.849557D+01  0.550260D+01 -0.126208D+01 -0.834192D-01
      2   0.824874D+01  0.537585D+00  0.122875D+02 -0.317812D+01  0.997325D+00
      3  -0.123437D+01 -0.231423D+01 -0.317417D+01 -0.490022D+01  0.385933D+01
                11            12            13            14            15 
      1  -0.863321D-01  0.193807D+01  0.567160D+00  0.277665D+01  0.271121D+01
      2  -0.187813D+00  0.957593D+01  0.325849D+01 -0.155602D+01 -0.392313D+01
      3  -0.114996D+02  0.361483D+00  0.125320D+02 -0.175963D-01  0.165397D+01
                16            17            18            19            20 
      1   0.425917D+01  0.114850D+02 -0.164721D+01 -0.241647D-01 -0.310472D-01
      2   0.984773D+01 -0.578790D+01  0.382385D+01  0.236979D+01 -0.215819D+01
      3  -0.321601D+01  0.736750D+00  0.208187D+01  0.739960D+01 -0.469328D+01
                21            22            23            24            25 
      1   0.409911D+01  0.962531D+00  0.138119D+00 -0.371135D+01  0.259399D+01
      2  -0.259498D+01 -0.164273D+01 -0.229344D+00  0.326663D+01 -0.149648D+02
      3   0.178305D+01  0.513064D+01 -0.874953D+01 -0.714520D+00  0.390021D+01
                26            27            28            29            30 
      1   0.827293D+00  0.141391D+01 -0.428858D+00 -0.188017D+00  0.148994D+01
      2   0.461178D+01 -0.277354D+01  0.129129D+01  0.174532D+01 -0.192165D+01
      3  -0.116262D+01 -0.716981D+01 -0.363937D+01  0.142883D+02 -0.220866D+01
                31            32            33            34            35 
      1  -0.182951D+01  0.186851D+01 -0.665205D+00  0.262080D+01  0.106040D+02
      2   0.788949D+00 -0.104091D+01  0.388158D+00 -0.147347D+02  0.125705D+01
      3   0.132861D+02 -0.119852D+02  0.276322D+01  0.638701D+00  0.255826D+01
                36            37            38            39            40 
      1  -0.540485D+00  0.152934D+01  0.148016D+00 -0.101934D+01 -0.180680D+00
      2  -0.110849D+01  0.938098D-02 -0.412556D+00 -0.125922D+01 -0.344778D+01
      3  -0.263534D+01 -0.689863D+01  0.547440D+01 -0.546849D+00  0.104370D+02
                41            42            43            44            45 
      1   0.226075D+01 -0.791933D+00 -0.336724D+01  0.744457D+01 -0.566181D+00
      2   0.214981D+01 -0.948910D+00 -0.153197D+02 -0.669358D-01  0.182943D+00
      3   0.219990D+02 -0.276702D+01 -0.157132D+01 -0.852518D+00  0.403576D+01
                46            47            48            49            50 
      1  -0.163848D+01  0.291805D+00 -0.169371D+01 -0.267518D+00 -0.357311D+00
      2  -0.295126D+00 -0.515603D+00 -0.136128D+01 -0.170115D+01 -0.157750D+01
      3  -0.771500D+00 -0.134408D+02  0.135924D+01 -0.640637D+00  0.516091D+01
                51            52            53            54            55 
      1  -0.364884D+01  0.247975D+01  0.146048D+01  0.174095D+00  0.110332D+01
      2  -0.619105D+01 -0.102156D+02 -0.991322D+01  0.293760D+01  0.454189D+00
      3   0.893858D+00  0.171199D+01  0.117047D+01  0.717581D+01  0.443799D+01
                56            57            58            59            60 
      1   0.470000D+00 -0.282108D+01 -0.213212D+01  0.465901D+01 -0.172967D+00
      2  -0.754370D+00 -0.115143D+00  0.322954D+00  0.463314D+01  0.595741D+00
      3  -0.137175D+01 -0.810843D+00  0.151198D+02  0.447373D+01 -0.588192D+01
                61            62            63            64            65 
      1  -0.455094D+01  0.796361D+01 -0.566040D+01 -0.545530D+00  0.325094D+00
      2  -0.873441D+01  0.110554D+01 -0.123750D+02 -0.972684D+01  0.123441D+01
      3   0.280787D+01 -0.791586D+01  0.131915D+01 -0.894173D+01 -0.103652D+02
                66            67            68            69            70 
      1  -0.817202D-01  0.137150D+01 -0.153201D+01  0.152201D+01  0.117179D+01
      2   0.974165D+00 -0.112569D+01 -0.303782D+01  0.227125D+01 -0.936180D+01
      3  -0.105544D+00 -0.100590D+02  0.626399D+01  0.482694D+01 -0.125032D+01
                71            72            73            74            75 
      1   0.164336D+01 -0.151835D+00 -0.253817D+01 -0.402830D+00  0.167878D+01
      2  -0.264355D+01  0.206142D+02 -0.185972D-01  0.517628D+00  0.659990D+01
      3   0.352039D+01  0.831814D+00  0.135295D+02 -0.364392D+01  0.216117D+01
                76            77            78            79            80 
      1   0.676759D+00 -0.417235D+00 -0.660206D+01 -0.455830D+01  0.212843D+01
      2   0.956889D+00  0.286528D+01 -0.230384D+01 -0.395507D+01  0.408644D+01
      3   0.819222D+01 -0.133080D+02 -0.493111D+01  0.535183D+01 -0.683595D+01
                81            82            83            84            85 
      1  -0.155191D+01  0.754831D+00 -0.565317D+01 -0.176796D+01 -0.341570D+01
      2   0.854763D+00  0.344929D+01 -0.955742D+00 -0.237588D+01  0.735767D+00
      3  -0.237084D+00 -0.917577D+01 -0.223236D+01 -0.834778D+00  0.740322D+01
                86            87            88            89            90 
      1   0.518220D+01  0.595918D+01  0.884037D+01  0.206908D+02 -0.135078D+02
      2  -0.149160D+01  0.117107D+01 -0.393791D+01 -0.237922D+01  0.556412D+00
      3  -0.307712D+01  0.585522D+01  0.137301D+01  0.118145D+02 -0.974553D+00
                91            92            93            94            95 
      1  -0.964628D-01 -0.302380D+00 -0.234585D+01  0.322591D+00  0.233327D-01
      2   0.369333D+00  0.286474D+00  0.355161D+01 -0.668437D+00 -0.736575D+00
      3  -0.245375D+01 -0.602232D+01  0.621540D-01 -0.510336D+01 -0.103866D+02
                96            97            98            99           100 
      1  -0.272552D+01  0.125752D+01  0.128215D+01  0.198404D+00  0.236621D+00
      2   0.312758D+01 -0.161080D+01 -0.122906D+01 -0.144678D+00  0.166065D+01
      3   0.678752D+00  0.120966D+01  0.172178D+01  0.114083D+00  0.253105D+01
               101           102           103           104           105 
      1   0.383979D+00  0.117544D+01  0.420235D-01 -0.974420D-01 -0.746852D+00
      2  -0.305086D+00  0.593403D+01 -0.124347D+01  0.618220D+00 -0.166118D+01
      3  -0.584477D+01  0.195875D+00 -0.498399D+01  0.311651D+01 -0.570378D+00
               106           107           108           109           110 
      1  -0.737366D+00  0.447473D+00  0.510876D-01 -0.539233D+00  0.368087D+00
      2  -0.273481D+01  0.630948D+00  0.290396D+00 -0.843589D+00  0.868993D+00
      3   0.178562D+01 -0.890821D+00  0.137196D+00 -0.689998D+01  0.543963D+01
               111           112           113           114           115 
      1   0.533677D+00  0.633672D+00 -0.969071D+00 -0.414572D+01 -0.514448D+00
      2   0.118604D+00  0.123370D+01 -0.202381D+01  0.405148D+00 -0.129391D+01
      3  -0.263389D+00  0.884383D+01 -0.159773D+02  0.197564D+01 -0.651785D+00
               116           117           118           119           120 
      1   0.207074D+01  0.435043D+00  0.607882D-01 -0.435787D-01  0.129939D+01
      2   0.290756D+00  0.222718D+00  0.421161D+00 -0.439682D+00  0.112365D+01
      3   0.289441D+01 -0.649605D-01  0.169753D+01 -0.188617D+01  0.366489D+00
               121           122           123           124           125 
      1  -0.328304D-01 -0.279747D+00 -0.448857D+01 -0.101381D+00  0.182861D+01
      2  -0.202773D+00  0.248526D+01 -0.247277D+01 -0.107218D+01  0.325670D+00
      3   0.616859D+00  0.174007D+02 -0.222052D+01  0.400917D+00 -0.232436D+01
               126           127           128           129           130 
      1   0.487368D+00  0.217881D+01  0.851864D+00  0.135093D+01  0.102562D+01
      2   0.160273D+00  0.753715D+00 -0.901109D+00  0.333800D+01 -0.112843D+01
      3  -0.138140D+00 -0.238443D+01 -0.355082D+01 -0.136885D+01 -0.201472D+01
               131           132           133           134           135 
      1  -0.537435D+00 -0.183808D+01  0.220115D+01  0.106398D+01  0.747428D+01
      2   0.235334D+00 -0.128972D+01  0.856871D+00 -0.104571D+01  0.121512D+02
      3   0.926354D+00 -0.117976D+01 -0.378290D+01 -0.445130D+00 -0.458619D+00
               136           137           138           139           140 
      1  -0.458011D+01 -0.131187D+01  0.508918D+01  0.827628D+00 -0.121167D+02
      2  -0.574056D+01  0.273250D+01  0.504744D+01  0.227038D+01 -0.486656D+01
      3   0.162237D+02 -0.202657D+02  0.316861D+01 -0.113519D+02 -0.994882D+01
               141           142           143           144           145 
      1  -0.189888D+01  0.230295D+01  0.454286D+01  0.144440D+02 -0.185805D+00
      2  -0.508014D+00  0.402389D+00  0.142518D+01  0.118992D+02  0.501481D+01
      3   0.772744D+01  0.249836D+01  0.729488D+01 -0.483796D+01  0.500137D+01
               146           147           148           149           150 
      1   0.328462D+00  0.293463D-02 -0.126209D+00 -0.132851D+00 -0.749215D+00
      2  -0.135195D+00  0.632485D+01 -0.545372D+00  0.113563D+01 -0.441405D+00
      3  -0.750535D+01  0.643525D+00 -0.235942D+01  0.219478D+01 -0.132344D+01
               151           152           153           154           155 
      1  -0.485870D+00  0.897921D+00 -0.157222D+00  0.123138D-01  0.505198D+00
      2   0.392332D+01 -0.926657D-01  0.144222D+01 -0.198781D+01  0.155753D+00
      3   0.758487D+00 -0.339024D+01  0.335067D+00  0.160916D+01  0.134060D+01
               156           157           158           159           160 
      1   0.115028D+00  0.311975D-01  0.228670D+00 -0.103718D+01 -0.778256D+00
      2   0.216952D+00  0.118271D+01 -0.283933D+01  0.611546D+00  0.251055D+01
      3  -0.462429D+00  0.200815D+01 -0.288719D+00  0.253260D+01 -0.963490D+00
               161           162           163           164           165 
      1   0.483235D+01  0.132660D+01 -0.126057D+01  0.196359D+01  0.109666D+01
      2   0.100566D+01 -0.204362D+02 -0.291991D+00 -0.715047D+00  0.962224D+00
      3   0.648739D+01  0.891666D+00 -0.277107D+01  0.796477D+00  0.274739D+01
               166           167           168           169           170 
      1  -0.528937D+00 -0.707599D+01 -0.665992D+01 -0.112543D+01 -0.667815D+01
      2  -0.373225D+00  0.170744D+01  0.449342D+00 -0.668219D+00  0.790312D+00
      3   0.547291D+01 -0.626404D+01 -0.306086D+01  0.384309D+01 -0.457604D+01
               171           172           173           174           175 
      1  -0.436315D+01  0.325108D+01  0.995088D+00 -0.231729D+01  0.186706D+01
      2   0.750404D+00  0.127920D+01  0.621891D+00  0.126707D+01  0.315278D+00
      3  -0.177863D+01  0.488181D+01  0.108585D+01 -0.326004D+01  0.201957D+01
               176           177           178           179           180 
      1   0.330164D+01 -0.525421D+01 -0.439744D+01 -0.922156D+01  0.178831D+02
      2  -0.621997D+00  0.864899D+00 -0.212188D+01  0.137271D+01 -0.240623D+01
      3  -0.121340D+01  0.236663D-01 -0.874802D+01 -0.271989D+01 -0.675226D+00
               181           182           183           184           185 
      1  -0.146151D+01  0.327253D+00 -0.316676D+01  0.305208D-01 -0.158831D+01
      2  -0.232911D+01 -0.360521D+00 -0.203015D+01  0.141375D+00 -0.815845D+00
      3   0.693342D+00  0.188240D+01  0.204747D+01  0.125917D+01  0.105803D+01
               186           187           188           189           190 
      1  -0.424625D+00 -0.328355D+00  0.440275D+00 -0.182763D+02  0.808513D+00
      2   0.271852D+00 -0.374607D+01 -0.239523D+01 -0.139877D+02  0.377616D+01
      3   0.785198D+00  0.278045D+01  0.275281D+01  0.382069D+01 -0.201908D+02
               191           192           193           194           195 
      1  -0.265105D+00  0.338254D+01 -0.371138D+00  0.126941D+01 -0.117978D+01
      2  -0.608958D+00  0.529926D+01 -0.101476D+01  0.102748D+01 -0.858425D+00
      3   0.463509D+00 -0.818932D+00  0.349518D+01 -0.254943D+00 -0.104186D+01
               196           197           198           199           200 
      1   0.195254D+01 -0.348345D+00 -0.470896D+00  0.238825D+01  0.145768D+01
      2   0.122449D+01 -0.798920D+00 -0.309299D+00  0.100623D+01 -0.232783D+00
      3  -0.189050D+01 -0.121608D+01 -0.108616D+01  0.871219D+01  0.754851D+01
               201           202           203           204           205 
      1  -0.334307D+01  0.184217D+01  0.574254D+01 -0.574605D+01 -0.162994D+01
      2  -0.510648D+00  0.436960D+00  0.143498D+01 -0.107351D+01 -0.180093D+01
      3  -0.298671D+01  0.102942D+02  0.183491D+02 -0.439445D+01 -0.467162D+01
               206           207 
      1  -0.272520D+01  0.183535D+01
      2  -0.144300D+01  0.436748D+00
      3  -0.544798D+01  0.421360D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.502819D-01 -0.207498D+02  0.177490D+01  0.338443D+02  0.225692D+01
      2  -0.453584D+01  0.141383D+02  0.208453D+01 -0.328158D+02 -0.753468D+01
      3   0.448556D+01  0.661153D+01 -0.385943D+01 -0.102851D+01  0.527776D+01
      4  -0.194545D+02  0.120530D+02 -0.377326D+01  0.353174D+00 -0.168523D+02
      5   0.667618D+00 -0.419114D+01  0.106861D+02  0.371300D+01  0.812297D+01
      6  -0.121323D+01 -0.989624D+00  0.105829D+02  0.623894D+01  0.307352D+01
                 6             7             8             9            10 
      1   0.970870D+00 -0.909905D+01 -0.153760D+01  0.829179D+01 -0.632479D+01
      2  -0.157750D+01  0.977085D+01  0.371040D+01 -0.134500D+02  0.141036D+01
      3   0.606635D+00 -0.671799D+00 -0.217280D+01  0.515818D+01  0.491442D+01
      4   0.802396D+01  0.728319D+00  0.793531D+01  0.168925D+02  0.936975D+01
      5   0.175328D+02  0.294738D+02  0.179211D+02 -0.663301D+01 -0.668472D+01
      6   0.304486D+01  0.101865D+02  0.128124D+02  0.161021D+01  0.878075D+00
                11            12            13            14            15 
      1   0.607073D+01 -0.488688D+01 -0.183277D+02 -0.227876D+02  0.563006D+01
      2  -0.253722D+01  0.163562D+01  0.168991D+02  0.228507D+02 -0.730417D+01
      3  -0.353351D+01  0.325126D+01  0.142860D+01 -0.630972D-01  0.167411D+01
      4   0.249961D+02  0.761589D+00 -0.245406D+02  0.116391D+02 -0.483033D+01
      5   0.298829D+00  0.212781D+02  0.925074D+01 -0.648863D+01 -0.830504D+01
      6  -0.474937D+00 -0.466094D+01 -0.461167D+01 -0.280970D+01 -0.594775D+01
                16            17            18            19            20 
      1  -0.260122D+01  0.768104D+01  0.181330D+02  0.953780D+01  0.271423D+01
      2  -0.184715D+01 -0.580877D+01 -0.219302D+02 -0.609693D+01 -0.536818D+01
      3   0.444837D+01 -0.187227D+01  0.379718D+01 -0.344087D+01  0.265395D+01
      4   0.109310D+02 -0.155256D+01 -0.464360D+01  0.742801D+01 -0.250924D+02
      5   0.397136D+02 -0.709761D+01  0.766560D+01 -0.193183D+01  0.270804D+01
      6  -0.274837D+01  0.617553D+01  0.312306D+01 -0.119814D+00 -0.178156D+01
                21            22            23            24            25 
      1   0.837381D+00  0.536099D+01  0.500479D+01 -0.402127D+01 -0.864017D+00
      2  -0.258249D+01  0.187823D+01 -0.113677D+02  0.569684D+01 -0.702204D-01
      3   0.174510D+01 -0.723922D+01  0.636288D+01 -0.167557D+01  0.934237D+00
      4   0.275685D+01  0.187554D+02  0.115808D+02  0.435663D+00 -0.351965D+01
      5  -0.665067D+01 -0.324650D+01  0.807942D+00  0.477933D+01  0.151131D+01
      6  -0.808694D+01 -0.171172D+01  0.837946D+01  0.777129D+01 -0.346004D+00
                26            27            28            29            30 
      1  -0.197277D+01 -0.151527D+02 -0.358326D+02  0.103528D+02 -0.440310D+00
      2   0.662719D+01  0.233577D+01  0.169414D+02 -0.258863D+01  0.244682D+00
      3  -0.465442D+01  0.128169D+02  0.188912D+02 -0.776417D+01  0.195627D+00
      4  -0.117140D+01  0.106082D+02 -0.106915D+02  0.762264D+01 -0.333759D+01
      5   0.106797D+02 -0.643765D+01  0.691000D+01 -0.245841D+01 -0.122013D+01
      6   0.150885D+02 -0.438281D+01 -0.258202D+01  0.357475D+00 -0.215510D+01
                31            32            33            34            35 
      1   0.151998D+02  0.368122D+01 -0.196861D+01 -0.705857D+01 -0.179801D+01
      2  -0.717948D+01  0.187511D+01  0.772164D+00  0.392187D+01  0.401298D+01
      3  -0.802034D+01 -0.555633D+01  0.119644D+01  0.313670D+01 -0.221497D+01
      4  -0.379324D+01  0.272796D+01 -0.191345D+01  0.170024D+01 -0.424979D+01
      5  -0.196167D+00 -0.453618D+00 -0.599215D+00  0.155197D+01  0.884251D+00
      6  -0.383886D+00 -0.724086D-01  0.391757D+00 -0.203041D+01  0.479345D+01
                36            37            38            39            40 
      1  -0.101286D+02 -0.110346D+02 -0.269343D+02  0.399967D+01 -0.198037D+02
      2  -0.186156D+01  0.118486D+02  0.181053D+02 -0.330726D+01  0.808945D+01
      3   0.119901D+02 -0.814006D+00  0.882905D+01 -0.692405D+00  0.117143D+02
      4  -0.166389D+01 -0.680587D+01 -0.164200D+01 -0.122299D+00 -0.107482D+01
      5  -0.740788D+00 -0.181359D+01 -0.217451D+01 -0.151034D+01 -0.182503D+00
      6  -0.100607D+01 -0.312447D+01 -0.212915D+01  0.222257D+01  0.698555D+00
                41            42            43            44            45 
      1  -0.155892D+02 -0.696782D+00  0.245469D+01 -0.295783D+01 -0.146779D+02
      2   0.160118D+02 -0.164050D+01 -0.394267D+01  0.284846D+01  0.348702D+01
      3  -0.422615D+00  0.233728D+01  0.148798D+01  0.109376D+00  0.111909D+02
      4  -0.734842D+01 -0.187223D+00  0.189686D+01 -0.346670D+01 -0.654572D+00
      5  -0.135872D+01 -0.639068D+00  0.106141D+01 -0.278496D+01 -0.760371D+00
      6  -0.107285D+01  0.797869D+00  0.296805D+01  0.116878D+02 -0.822325D+00
                46            47            48            49            50 
      1   0.960663D+01  0.202055D+02  0.282027D+00 -0.237509D+02  0.150517D+02
      2  -0.991151D+01 -0.139271D+02  0.167799D+01  0.207698D+02 -0.238081D+02
      3   0.304884D+00 -0.627839D+01 -0.196001D+01  0.298113D+01  0.875642D+01
      4   0.891634D+01 -0.165875D+02  0.351475D+01  0.123410D+02  0.120023D+01
      5   0.196734D+00  0.519237D+01 -0.440852D+01 -0.546584D+00 -0.363190D+01
      6   0.417306D+01 -0.165011D+01  0.223712D+01 -0.357413D+01  0.803520D+01
                51            52            53            54            55 
      1  -0.225890D+01  0.444915D+01  0.146626D+01 -0.560268D+01  0.238976D+02
      2   0.530536D+01 -0.624148D+01  0.352198D+01 -0.441811D+01 -0.777539D+01
      3  -0.304645D+01  0.179233D+01 -0.498824D+01  0.100208D+02 -0.161222D+02
      4  -0.421721D+01  0.191622D+01 -0.719185D+01 -0.162257D+02 -0.293705D+01
      5  -0.122372D+02  0.105474D+02 -0.165167D+02  0.578272D+01 -0.351154D+01
      6   0.837362D+01 -0.544042D+01  0.140107D+02 -0.108037D+01  0.359870D+01
                56            57            58            59            60 
      1  -0.152713D+02  0.261824D+00 -0.205555D+02 -0.291833D+00  0.422509D+01
      2   0.136316D+02  0.584474D+00  0.191643D+02 -0.313711D+01 -0.832523D+01
      3   0.163970D+01 -0.846298D+00  0.139126D+01  0.342894D+01  0.410014D+01
      4  -0.103656D+02  0.259275D+01 -0.164332D+02  0.127223D+02  0.828790D+01
      5   0.282636D+01 -0.931180D+01  0.329909D+01  0.890518D+01  0.298692D+01
      6   0.274668D+01  0.523317D+01  0.433188D+01 -0.912803D+01 -0.563928D+01
                61            62            63            64            65 
      1   0.144503D+02  0.679520D+00  0.666271D+01 -0.529239D+02  0.105824D+02
      2   0.733041D+01 -0.142295D+02  0.596902D+01  0.294209D+02 -0.835419D+01
      3  -0.217807D+02  0.135500D+02 -0.126317D+02  0.235030D+02 -0.222818D+01
      4   0.320992D+00  0.107069D+02  0.919546D+01  0.107171D+02  0.718926D+01
      5  -0.137069D+02  0.743662D+01 -0.314729D+02 -0.146617D+02  0.716484D+00
      6   0.101934D+02 -0.456618D+01  0.173946D+02 -0.504897D+00 -0.206958D+01
                66            67            68            69            70 
      1  -0.971038D+01  0.223907D+02  0.128755D+02 -0.107922D+01 -0.157256D+02
      2   0.541898D+01 -0.160237D+02 -0.148175D+02  0.440491D+01  0.184464D+01
      3   0.429141D+01 -0.636702D+01  0.194194D+01 -0.332569D+01  0.138810D+02
      4   0.537236D+00 -0.666501D+00 -0.260814D+01 -0.751931D+01 -0.280118D+01
      5  -0.117839D+01 -0.565236D+01 -0.787179D+01  0.632136D+01 -0.127153D+02
      6   0.589805D+00 -0.334332D+01 -0.193345D+01 -0.535939D+01 -0.286705D+01
                71            72            73            74            75 
      1   0.514860D+00 -0.395766D+00  0.261067D+02  0.915879D+01 -0.996379D+00
      2   0.122766D+01  0.155225D+02 -0.142753D+02 -0.484033D+01 -0.144407D+01
      3  -0.174252D+01 -0.151268D+02 -0.118314D+02 -0.431846D+01  0.244045D+01
      4  -0.274610D+01 -0.423534D+01  0.146611D+02  0.146834D+02  0.703965D+01
      5  -0.231576D+01  0.395665D+02  0.807166D+01  0.425983D+01  0.109729D+02
      6  -0.330759D+00  0.318850D+01  0.581104D+01  0.692471D+01 -0.552888D+01
                76            77            78            79            80 
      1  -0.899472D+01 -0.117133D+02 -0.142723D+01  0.110204D+02  0.498430D-01
      2   0.951676D+01  0.209585D+02  0.953694D-01 -0.694177D+01  0.172068D+01
      3  -0.522036D+00 -0.924519D+01  0.133186D+01 -0.407862D+01 -0.177052D+01
      4   0.145660D+02  0.185288D+02  0.703843D+01  0.719027D+01  0.769736D+01
      5   0.519270D+01  0.591828D+01 -0.464021D+01  0.121041D+02  0.740407D+01
      6   0.887323D+00  0.621285D+01  0.111710D+02  0.696666D+01  0.134583D+02
                81            82            83            84            85 
      1  -0.852877D+01 -0.119183D+02 -0.750557D+01 -0.331779D+01  0.143763D+02
      2  -0.429621D+01  0.786770D+01  0.144698D+02  0.653832D+01 -0.100775D+02
      3   0.128250D+02  0.405062D+01 -0.696421D+01 -0.322053D+01 -0.429878D+01
      4   0.993390D+01 -0.122932D+01 -0.798426D+01 -0.385152D+01  0.770524D+00
      5   0.120304D+01 -0.915315D-01 -0.125277D+01 -0.874610D+01  0.317023D+01
      6   0.277266D+01 -0.179813D+01  0.557961D+01  0.380511D+01  0.803352D+01
                86            87            88            89            90 
      1   0.419636D+02  0.164328D+01 -0.195367D+02 -0.877984D+01  0.317700D+02
      2  -0.463459D+02 -0.970768D+01  0.138667D+02 -0.633448D+01 -0.206849D+02
      3   0.438230D+01  0.806439D+01  0.567001D+01  0.151143D+02 -0.110850D+02
      4   0.260367D+01  0.448428D+01  0.430503D+01  0.608377D+01 -0.985073D+01
      5   0.399185D+01 -0.287623D+01 -0.697542D+01 -0.109281D+02  0.995982D+01
      6  -0.727095D+01 -0.170706D+02 -0.137812D+02 -0.400402D+02  0.310548D+02
                91            92            93            94            95 
      1   0.407456D+02  0.224119D+02 -0.192994D+01  0.176671D+02  0.123154D+02
      2  -0.138202D+02 -0.453564D+01  0.829866D+00  0.175772D+01  0.788590D+01
      3  -0.269254D+02 -0.178762D+02  0.110007D+01 -0.194248D+02 -0.202014D+02
      4   0.453437D+02  0.345095D+02 -0.221748D+01  0.408138D+02  0.429848D+02
      5  -0.350698D+01 -0.201024D+01  0.646672D+01 -0.418877D+01 -0.399689D+01
      6  -0.443643D+00 -0.416085D+00  0.290570D+01 -0.200451D+01 -0.195963D+01
                96            97            98            99           100 
      1  -0.144177D+01 -0.842233D-02 -0.558450D+00  0.157340D+00  0.103539D+03
      2   0.404454D+00 -0.110487D+01 -0.781189D+00  0.833409D+00 -0.585227D+02
      3   0.103731D+01  0.111329D+01  0.133964D+01 -0.990750D+00 -0.450162D+02
      4  -0.399757D+01 -0.316682D+01 -0.414006D+01  0.197694D+01 -0.271284D+02
      5   0.464322D+01  0.126890D+01  0.537656D+00 -0.495441D+00  0.110335D+02
      6   0.449935D+01  0.700834D+00  0.131264D+01 -0.976221D+00  0.167749D+00
               101           102           103           104           105 
      1  -0.187051D+02  0.719529D+01 -0.177142D+02  0.129731D+02 -0.233764D+01
      2   0.961315D+01 -0.477629D+01  0.805007D+01 -0.581267D+01  0.171828D+01
      3   0.909198D+01 -0.241900D+01  0.966414D+01 -0.716045D+01  0.619352D+00
      4   0.133331D+02 -0.191376D+01  0.213118D+02 -0.975279D+01  0.192302D+01
      5  -0.210246D+01  0.986731D+01 -0.421966D+01  0.217885D+01 -0.239188D+01
      6   0.306213D+00 -0.118194D+01  0.113408D+01 -0.419154D+00  0.215124D+01
               106           107           108           109           110 
      1   0.866050D+01 -0.324141D+01  0.230686D+01 -0.425823D+01  0.466432D+01
      2  -0.476043D+01  0.202457D+01 -0.110255D+01  0.579670D+01 -0.438666D+01
      3  -0.390006D+01  0.121684D+01 -0.120430D+01 -0.153847D+01 -0.277661D+00
      4  -0.428218D+01  0.203927D+01 -0.140442D+01 -0.161569D+01  0.711798D+01
      5   0.219474D+01 -0.445606D+00  0.126818D+01 -0.660171D+00 -0.132380D+00
      6  -0.323872D+00  0.790459D+00 -0.599620D+00 -0.919652D+00  0.128209D+01
               111           112           113           114           115 
      1  -0.122777D+01  0.498250D+01 -0.349382D+02  0.598804D+01 -0.698820D+00
      2   0.655696D+00 -0.527222D+01  0.480612D+02 -0.595284D+01  0.548977D+00
      3   0.572072D+00  0.289722D+00 -0.131230D+02 -0.351958D-01  0.149843D+00
      4  -0.412908D+00  0.521375D+01  0.135410D+02 -0.271077D+01 -0.461991D+00
      5   0.121485D+01 -0.109685D+00 -0.349650D+01  0.148227D+01  0.620339D+00
      6  -0.425008D+00  0.447623D+00 -0.103793D+02  0.760007D+01 -0.110629D+00
               116           117           118           119           120 
      1   0.560576D+01 -0.228170D+01  0.300098D+01 -0.355086D+01  0.362751D+00
      2  -0.700146D+01  0.264667D+01  0.310518D+01 -0.368850D+01  0.982242D-01
      3   0.139570D+01 -0.364970D+00 -0.610615D+01  0.723936D+01 -0.460975D+00
      4  -0.165289D+01 -0.661600D+00 -0.137420D+02  0.188786D+02 -0.265678D+01
      5  -0.381217D-01  0.605944D+00  0.215790D+01 -0.281646D+01  0.317794D+01
      6   0.389098D+01 -0.214053D+01 -0.157145D+01  0.202915D+01 -0.201822D+01
               121           122           123           124           125 
      1   0.917555D+00 -0.203988D+02  0.277811D+01 -0.356401D-01  0.221323D+01
      2  -0.934290D+01  0.413408D+02 -0.378303D+01  0.145241D+01 -0.418386D+01
      3   0.842534D+01 -0.209421D+02  0.100492D+01 -0.141677D+01  0.197063D+01
      4   0.210745D+02 -0.467489D+02  0.608585D+01 -0.399157D+01  0.684218D+01
      5  -0.297851D+01  0.619041D+01 -0.437011D+01  0.134697D+01 -0.144227D+01
      6   0.308644D+01 -0.880962D+01  0.763298D+01 -0.158855D+01  0.395001D+01
               126           127           128           129           130 
      1  -0.204023D+01  0.324966D+01  0.124473D+01  0.257627D+01  0.325508D+01
      2   0.288005D+01 -0.697802D+01 -0.142959D+01 -0.414143D+01 -0.378883D+01
      3  -0.839818D+00  0.372836D+01  0.184866D+00  0.156517D+01  0.533744D+00
      4  -0.175000D+01 -0.316248D+01  0.666609D+01 -0.367636D+01  0.911235D+01
      5   0.827535D+00  0.963291D+01 -0.254847D+01  0.143639D+02 -0.211204D+01
      6  -0.236750D+01 -0.460362D+01  0.871392D+00 -0.340164D+01  0.199042D+01
               131           132           133           134           135 
      1  -0.479795D+01  0.140132D+01 -0.271917D+01  0.467287D+01 -0.157994D+02
      2   0.239678D+01 -0.959956D+00 -0.830958D+01 -0.280897D-01 -0.174191D+02
      3   0.240117D+01 -0.441367D+00  0.110287D+02 -0.464478D+01  0.332185D+02
      4  -0.718861D+01  0.368784D+01 -0.804389D+01  0.656532D+01 -0.691363D+01
      5   0.339947D+01 -0.315106D+01  0.195750D+02 -0.676470D+01  0.326769D+02
      6  -0.211035D+01  0.934349D+01 -0.886923D+01  0.765233D+01 -0.198022D+02
               136           137           138           139           140 
      1  -0.345335D+02  0.299125D+02 -0.112233D+01  0.258306D+02  0.763382D+01
      2   0.690390D+01 -0.275472D+02  0.557082D+01 -0.266819D+02 -0.119237D+02
      3   0.276296D+02 -0.236533D+01 -0.444850D+01  0.851294D+00  0.428984D+01
      4   0.431429D+02 -0.842951D+01  0.235326D+01  0.489933D+01 -0.141577D+02
      5  -0.367729D+00 -0.205405D+01  0.684040D+01 -0.121311D+01 -0.119350D+02
      6   0.521002D+01 -0.852699D+00 -0.826847D+01 -0.272435D+01  0.193469D+02
               141           142           143           144           145 
      1  -0.111228D+02 -0.343065D+01 -0.970554D+01  0.143561D+02  0.831539D+02
      2   0.173081D+02 -0.161983D+00  0.213579D+02  0.353242D+01 -0.476637D+02
      3  -0.618524D+01  0.359263D+01 -0.116523D+02 -0.178885D+02 -0.354902D+02
      4  -0.797911D+01  0.759912D+01 -0.126552D+02 -0.806635D+01  0.796954D-03
      5  -0.412869D+00  0.682736D+01 -0.107064D+01  0.172998D+02  0.113420D+02
      6   0.382133D+01 -0.801298D+01  0.134106D+01 -0.244144D+02  0.914406D+00
               146           147           148           149           150 
      1  -0.463492D+01  0.965861D+01 -0.109791D+02  0.695628D+01 -0.528514D+00
      2   0.320882D+01 -0.554799D+01  0.649887D+01 -0.225983D+01  0.932935D+00
      3   0.142610D+01 -0.411063D+01  0.448023D+01 -0.469645D+01 -0.404421D+00
      4   0.924124D+01  0.442431D-01  0.124909D+02 -0.255651D+01  0.249037D+01
      5  -0.348457D+00  0.102600D+02 -0.106114D+01  0.283528D+01 -0.623486D+00
      6   0.467184D+00  0.343365D+00  0.598420D+00  0.240398D+00  0.160936D+01
               151           152           153           154           155 
      1   0.166853D+02 -0.105937D+01  0.878812D+01  0.810883D+01 -0.272408D+00
      2  -0.107853D+02  0.951325D+00 -0.782125D+01 -0.677178D+01  0.125797D+00
      3  -0.589995D+01  0.108048D+00 -0.966865D+00 -0.133705D+01  0.146611D+00
      4  -0.625353D+00  0.392170D+01  0.137851D+00  0.769616D+00 -0.868825D+00
      5   0.148964D+02 -0.487091D+00  0.440758D+01 -0.606146D+01 -0.146272D+00
      6   0.481984D+00  0.950039D+00 -0.104826D+00 -0.916206D+00  0.241283D-01
               156           157           158           159           160 
      1  -0.513036D+01 -0.964375D-01 -0.332334D+01  0.183776D+01 -0.815578D+01
      2   0.309820D+01  0.446157D+00  0.488464D+00 -0.657615D+00  0.120566D+02
      3   0.203216D+01 -0.349719D+00  0.283487D+01 -0.118014D+01 -0.390077D+01
      4  -0.103939D+01  0.318846D+01  0.122256D+01 -0.507814D+01 -0.138310D+01
      5   0.395929D+01  0.575008D-02 -0.487049D+01  0.143897D+01  0.192812D+02
      6   0.137748D+00 -0.174177D+01 -0.154758D+01  0.804105D+01  0.239194D+01
               161           162           163           164           165 
      1   0.675097D+00 -0.414166D+01 -0.112299D+01  0.996580D+01  0.381181D+01
      2  -0.103980D+01 -0.214273D+02  0.373360D+01 -0.143262D+02 -0.366639D+01
      3   0.364703D+00  0.255689D+02 -0.261061D+01  0.436045D+01 -0.145414D+00
      4  -0.783089D+01  0.300394D+01 -0.246709D+01  0.948231D+01  0.329159D+01
      5   0.120146D+01 -0.400004D+02 -0.215516D+00  0.131377D+01  0.272797D+01
      6   0.407136D+01 -0.611606D+01  0.413066D+01 -0.470959D+01 -0.181789D+01
               166           167           168           169           170 
      1  -0.123521D+01 -0.421994D+02 -0.104357D+02  0.234950D+01 -0.174743D+02
      2   0.137555D+01  0.615524D+02  0.154747D+02 -0.773049D+00  0.239314D+02
      3  -0.140332D+00 -0.193530D+02 -0.503903D+01 -0.157645D+01 -0.645716D+01
      4   0.623547D+01  0.221991D+01 -0.194418D+00  0.365663D+01  0.357319D+00
      5   0.660875D+00  0.126105D+01  0.154529D+01  0.254795D+01  0.252279D+01
      6  -0.156619D+00  0.193398D+02  0.127844D+02  0.231169D+01  0.210556D+02
               171           172           173           174           175 
      1  -0.136062D+02 -0.206980D+00 -0.748780D-01  0.707216D+00 -0.379678D+01
      2   0.131413D+02 -0.152492D+01 -0.560167D+00  0.509323D+00  0.448714D+01
      3   0.464829D+00  0.173190D+01  0.635045D+00 -0.121654D+01 -0.690363D+00
      4   0.927149D+00  0.558129D+01  0.768875D+01 -0.603821D+01  0.435555D+01
      5  -0.166475D+00 -0.453103D+01 -0.412840D+01  0.913468D+01 -0.215595D+01
      6   0.976085D+01 -0.746020D+01 -0.403551D+01  0.514610D+01 -0.422661D+01
               176           177           178           179           180 
      1  -0.211239D+02  0.982514D+01  0.608242D+01  0.247236D+02 -0.298736D+02
      2   0.223877D+02 -0.909970D+01 -0.350766D+01 -0.160425D+02  0.987125D+01
      3  -0.126375D+01 -0.725434D+00 -0.257475D+01 -0.868109D+01  0.200023D+02
      4   0.673880D+01 -0.455503D+01 -0.100750D+02 -0.888334D+01  0.866889D+01
      5  -0.460194D+01  0.358164D+01  0.841570D+01  0.102244D+02 -0.127311D+02
      6  -0.156456D+02  0.154388D+02  0.103921D+02  0.337663D+02 -0.405676D+02
               181           182           183           184           185 
      1   0.106825D+01 -0.511348D+01 -0.550038D+01 -0.168708D+01 -0.434432D+01
      2  -0.172786D+01  0.515361D+01  0.333614D+00  0.130502D+01  0.320496D+01
      3   0.659612D+00 -0.401339D-01  0.516676D+01  0.382064D+00  0.113936D+01
      4  -0.191443D+01  0.661012D+00  0.307517D+01  0.709688D-01  0.128267D+01
      5  -0.134896D+01  0.484348D+00  0.538304D+00 -0.427255D+00 -0.726063D+00
      6   0.279285D+01  0.206060D+01  0.588927D+01  0.277513D+00  0.208574D+01
               186           187           188           189           190 
      1  -0.148875D+01 -0.385966D+01 -0.675747D+01 -0.201378D+02  0.534790D+02
      2   0.297580D+01  0.795682D+00  0.582451D+01 -0.798720D+01 -0.166408D+02
      3  -0.148705D+01  0.306398D+01  0.932964D+00  0.281250D+02 -0.368382D+02
      4  -0.115085D+01  0.716232D+01 -0.622083D+01  0.170808D+00 -0.584807D+02
      5   0.839306D+00  0.520198D+01 -0.469001D+01 -0.219341D+02 -0.527652D+01
      6   0.455785D+01 -0.514934D+00  0.111704D+02  0.338930D+02  0.581934D+00
               191           192           193           194           195 
      1  -0.130741D+02  0.171462D+01 -0.561612D+01  0.306600D+01  0.782071D+00
      2  -0.313885D+01 -0.605965D+00 -0.339148D+01  0.588070D+01 -0.165278D+01
      3   0.162129D+02 -0.110866D+01  0.900760D+01 -0.894670D+01  0.870704D+00
      4   0.316919D+02 -0.267872D-01  0.181969D+02 -0.131264D+02  0.945815D+00
      5   0.236664D+01  0.899645D+01  0.918479D+00  0.556175D+00 -0.156870D+01
      6  -0.213321D+01 -0.641141D+01 -0.843878D+00 -0.794041D+00  0.203285D+01
               196           197           198           199           200 
      1   0.345632D+01  0.103197D+01  0.317481D+01 -0.213856D+01 -0.151105D+02
      2  -0.117506D+01 -0.336582D+01 -0.244173D+01  0.659175D+01  0.206389D+02
      3  -0.228126D+01  0.233385D+01 -0.733083D+00 -0.445319D+01 -0.552848D+01
      4  -0.470524D+01  0.362844D+01 -0.533522D+01  0.913239D+00  0.152657D+01
      5   0.951419D+01 -0.389385D+01 -0.890862D-01  0.144320D+01  0.134457D+01
      6  -0.552639D+01  0.371497D+01  0.101732D+01 -0.300116D+01 -0.140718D+01
               201           202           203           204           205 
      1   0.213643D+01 -0.941059D+01 -0.331848D+02  0.696064D+01  0.365660D+01
      2  -0.373659D+01  0.106220D+02  0.539406D+02 -0.108982D+02 -0.249495D+01
      3   0.160015D+01 -0.121142D+01 -0.207557D+02  0.393761D+01 -0.116165D+01
      4  -0.175349D+01  0.669567D+01 -0.114380D+02  0.172248D+01 -0.435107D+01
      5  -0.164682D+01  0.207937D+01  0.526406D+01 -0.333608D+01 -0.319514D+00
      6   0.486357D+01 -0.161004D+01 -0.761403D+01  0.876603D+01  0.278167D+01
               206           207 
      1   0.976370D+01 -0.848182D+01
      2  -0.157084D+02  0.741247D+01
      3   0.594468D+01  0.106935D+01
      4   0.598402D+01 -0.110553D+00
      5  -0.312192D+01  0.989978D+00
      6   0.961559D+01 -0.428710D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:51:07 2021, MaxMem= 10737418240 cpu:           25513.3 elap:            1596.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.15307 -10.23515 -10.22956 -10.19546 -10.19475
 Alpha  occ. eigenvalues --  -10.19436 -10.18913 -10.18860 -10.18810 -10.18719
 Alpha  occ. eigenvalues --  -10.18216  -1.04846  -0.86940  -0.81149  -0.77498
 Alpha  occ. eigenvalues --   -0.74404  -0.70594  -0.65511  -0.63215  -0.59878
 Alpha  occ. eigenvalues --   -0.56228  -0.52101  -0.50300  -0.48059  -0.47332
 Alpha  occ. eigenvalues --   -0.44700  -0.44463  -0.42714  -0.42156  -0.39902
 Alpha  occ. eigenvalues --   -0.38749  -0.37881  -0.37665  -0.36583  -0.34933
 Alpha  occ. eigenvalues --   -0.33147  -0.31599  -0.26469  -0.25180  -0.24711
 Alpha virt. eigenvalues --   -0.02187  -0.01686  -0.00681   0.00007   0.00355
 Alpha virt. eigenvalues --    0.01271   0.01890   0.01956   0.03016   0.03378
 Alpha virt. eigenvalues --    0.04316   0.04365   0.04677   0.06282   0.06907
 Alpha virt. eigenvalues --    0.06988   0.07817   0.08128   0.08514   0.08993
 Alpha virt. eigenvalues --    0.09100   0.09378   0.09688   0.09973   0.10447
 Alpha virt. eigenvalues --    0.10690   0.11049   0.11317   0.11538   0.12247
 Alpha virt. eigenvalues --    0.12321   0.12535   0.12988   0.13567   0.13975
 Alpha virt. eigenvalues --    0.14467   0.14491   0.14726   0.15225   0.15571
 Alpha virt. eigenvalues --    0.16155   0.16817   0.17312   0.18406   0.18481
 Alpha virt. eigenvalues --    0.19527   0.19968   0.20041   0.20890   0.21274
 Alpha virt. eigenvalues --    0.21731   0.22488   0.22677   0.22954   0.23409
 Alpha virt. eigenvalues --    0.23564   0.24462   0.24793   0.25418   0.25809
 Alpha virt. eigenvalues --    0.26313   0.26687   0.27042   0.27334   0.28144
 Alpha virt. eigenvalues --    0.28417   0.28671   0.29033   0.29868   0.30128
 Alpha virt. eigenvalues --    0.30641   0.31033   0.31711   0.32426   0.32823
 Alpha virt. eigenvalues --    0.33063   0.33930   0.34289   0.34537   0.35811
 Alpha virt. eigenvalues --    0.36317   0.36695   0.37187   0.37950   0.38214
 Alpha virt. eigenvalues --    0.38850   0.39624   0.39814   0.41275   0.41765
 Alpha virt. eigenvalues --    0.42347   0.42838   0.43375   0.43461   0.44465
 Alpha virt. eigenvalues --    0.44988   0.45146   0.46637   0.46721   0.47734
 Alpha virt. eigenvalues --    0.47996   0.49110   0.49609   0.50529   0.50601
 Alpha virt. eigenvalues --    0.51291   0.52278   0.52396   0.53788   0.54129
 Alpha virt. eigenvalues --    0.54712   0.54847   0.55425   0.55788   0.56481
 Alpha virt. eigenvalues --    0.56885   0.57221   0.57618   0.58265   0.59053
 Alpha virt. eigenvalues --    0.59691   0.59928   0.61183   0.61764   0.62448
 Alpha virt. eigenvalues --    0.62625   0.63619   0.63869   0.64318   0.64617
 Alpha virt. eigenvalues --    0.65215   0.65659   0.66213   0.66641   0.67424
 Alpha virt. eigenvalues --    0.68866   0.69215   0.69635   0.70464   0.70845
 Alpha virt. eigenvalues --    0.71918   0.73374   0.73840   0.74578   0.75066
 Alpha virt. eigenvalues --    0.75842   0.76776   0.76914   0.77175   0.77912
 Alpha virt. eigenvalues --    0.78559   0.78993   0.79607   0.80101   0.80323
 Alpha virt. eigenvalues --    0.81508   0.81729   0.83408   0.84576   0.85339
 Alpha virt. eigenvalues --    0.86473   0.87933   0.88514   0.89787   0.90645
 Alpha virt. eigenvalues --    0.91481   0.93303   0.94272   0.95071   0.96259
 Alpha virt. eigenvalues --    0.97685   0.98680   0.99018   1.00381   1.01681
 Alpha virt. eigenvalues --    1.03198   1.04052   1.07885   1.08613   1.09625
 Alpha virt. eigenvalues --    1.11073   1.12490   1.13732   1.14605   1.15727
 Alpha virt. eigenvalues --    1.16449   1.18213   1.20967   1.23733   1.25275
 Alpha virt. eigenvalues --    1.28932   1.29819   1.30724   1.31540   1.33092
 Alpha virt. eigenvalues --    1.35185   1.37185   1.38306   1.38803   1.39633
 Alpha virt. eigenvalues --    1.40941   1.41594   1.42843   1.44474   1.45674
 Alpha virt. eigenvalues --    1.46099   1.47325   1.47765   1.49716   1.51961
 Alpha virt. eigenvalues --    1.52392   1.53546   1.54115   1.55518   1.55689
 Alpha virt. eigenvalues --    1.57031   1.59632   1.60251   1.61342   1.61773
 Alpha virt. eigenvalues --    1.63094   1.64003   1.65230   1.65724   1.66641
 Alpha virt. eigenvalues --    1.67966   1.69939   1.70202   1.71177   1.72122
 Alpha virt. eigenvalues --    1.72856   1.74105   1.74524   1.76929   1.77269
 Alpha virt. eigenvalues --    1.78223   1.79747   1.80396   1.81411   1.82564
 Alpha virt. eigenvalues --    1.83052   1.84566   1.86092   1.86774   1.88097
 Alpha virt. eigenvalues --    1.89527   1.90629   1.92682   1.94001   1.94696
 Alpha virt. eigenvalues --    1.96140   1.98574   1.99160   2.00045   2.01132
 Alpha virt. eigenvalues --    2.02045   2.03450   2.04090   2.05202   2.06082
 Alpha virt. eigenvalues --    2.06771   2.09087   2.09281   2.10919   2.12661
 Alpha virt. eigenvalues --    2.13876   2.14960   2.15989   2.17569   2.19078
 Alpha virt. eigenvalues --    2.20008   2.23513   2.25364   2.26386   2.28477
 Alpha virt. eigenvalues --    2.29812   2.31634   2.33231   2.35661   2.37337
 Alpha virt. eigenvalues --    2.38974   2.41162   2.43317   2.46673   2.48324
 Alpha virt. eigenvalues --    2.50140   2.52131   2.53354   2.53773   2.55811
 Alpha virt. eigenvalues --    2.57814   2.60338   2.60411   2.62099   2.66057
 Alpha virt. eigenvalues --    2.66353   2.68259   2.72061   2.74844   2.79548
 Alpha virt. eigenvalues --    2.82729   2.84575   2.86836   2.87475   2.91113
 Alpha virt. eigenvalues --    3.01546   3.04689   3.09790   3.13834   3.16784
 Alpha virt. eigenvalues --    3.23256   3.46127   3.47306   3.51266   3.56604
 Alpha virt. eigenvalues --    3.62384   3.74625   3.78869   3.87478   3.91886
 Alpha virt. eigenvalues --    4.55559
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   19.129801  -7.696468  -9.918708   4.445969  -7.093638   7.722552
     2  C   -7.696468  16.951527   7.920075  -7.183741   4.808543  -8.414490
     3  C   -9.918708   7.920075  38.733707 -17.142228   4.557705 -11.297494
     4  C    4.445969  -7.183741 -17.142228  39.360132 -17.706767   3.513071
     5  C   -7.093638   4.808543   4.557705 -17.706767  36.977597 -13.089141
     6  C    7.722552  -8.414490 -11.297494   3.513071 -13.089141  31.832652
     7  C   -0.381902  -0.022417  -5.292153  -0.020255  -4.992168  -0.150465
     8  C    0.022697  -0.042716  -0.478082  -0.760661   0.162284   0.054264
     9  O    0.003897  -0.016315  -0.017890  -0.219129   0.140830  -0.077097
    10  C    0.093210  -0.179913   0.929074  -1.436923   0.935311  -2.875934
    11  H   -2.253395   1.054171   1.026615  -0.156707  -0.067023  -0.307906
    12  H    1.103416  -2.140626  -0.249416  -0.093649  -0.253887   0.959677
    13  H    1.213489  -0.486094  -3.677641   1.842748  -0.764450   0.364146
    14  H   -0.562375   1.106239   0.386903  -0.474178   1.716841  -3.160271
    15  H   -0.120315   0.059373   0.466794   0.551287   0.496621  -0.024582
    16  C    0.130692  -0.047840  -0.595519  -0.232277  -0.102755   0.091948
    17  H    0.017121  -0.007904   0.006684   0.316462  -0.055633  -0.056697
    18  H   -0.026824   0.017690  -0.057498   0.066384  -0.197024   0.158010
    19  H    0.014934   0.025316  -0.100934   0.233353   0.016239   0.318837
    20  H    0.005538  -0.027940   0.048534  -0.077884   0.229018  -0.098775
    21  H    0.015971   0.013536   0.153563  -0.316914   0.101417  -0.024905
    22  H    0.014241  -0.002683  -0.054690   0.470855  -0.112429   0.002957
    23  H    0.037228  -0.010043  -0.058009  -0.266620  -0.009240   0.002479
               7          8          9         10         11         12
     1  C   -0.381902   0.022697   0.003897   0.093210  -2.253395   1.103416
     2  C   -0.022417  -0.042716  -0.016315  -0.179913   1.054171  -2.140626
     3  C   -5.292153  -0.478082  -0.017890   0.929074   1.026615  -0.249416
     4  C   -0.020255  -0.760661  -0.219129  -1.436923  -0.156707  -0.093649
     5  C   -4.992168   0.162284   0.140830   0.935311  -0.067023  -0.253887
     6  C   -0.150465   0.054264  -0.077097  -2.875934  -0.307906   0.959677
     7  C   18.925624   0.087105   0.312092  -1.414716   0.066476  -0.040292
     8  C    0.087105   6.276945   0.156561  -0.461316   0.001894   0.002319
     9  O    0.312092   0.156561   8.934135  -0.109287  -0.000150   0.000475
    10  C   -1.414716  -0.461316  -0.109287   9.882046  -0.031552   0.066817
    11  H    0.066476   0.001894  -0.000150  -0.031552   2.918604  -0.158715
    12  H   -0.040292   0.002319   0.000475   0.066817  -0.158715   2.840662
    13  H   -0.221138   0.115146   0.004174  -0.021531  -0.226847  -0.033579
    14  H    0.017125   0.033156   0.001687  -0.056285  -0.037134  -0.200568
    15  H   -1.777264  -0.103920   0.000493   0.147244  -0.002926   0.001417
    16  C    0.483586   0.114809  -0.067762  -0.290959   0.020738  -0.001978
    17  H    0.041472  -0.465549  -0.251684  -0.058708   0.000444  -0.000181
    18  H   -0.200714  -0.005127  -0.057415   0.314647   0.001461  -0.000102
    19  H    0.047397  -0.037887  -0.134295  -0.680109   0.000684  -0.000015
    20  H    0.066135  -0.005637   0.005073   0.204600  -0.001773   0.003073
    21  H   -0.044909  -0.160809  -0.004147  -0.019180   0.001241   0.000215
    22  H   -0.440135   0.147933   0.006329   0.008700   0.001560   0.000011
    23  H    0.827460  -0.171387  -0.008134   0.013296  -0.000503  -0.001034
              13         14         15         16         17         18
     1  C    1.213489  -0.562375  -0.120315   0.130692   0.017121  -0.026824
     2  C   -0.486094   1.106239   0.059373  -0.047840  -0.007904   0.017690
     3  C   -3.677641   0.386903   0.466794  -0.595519   0.006684  -0.057498
     4  C    1.842748  -0.474178   0.551287  -0.232277   0.316462   0.066384
     5  C   -0.764450   1.716841   0.496621  -0.102755  -0.055633  -0.197024
     6  C    0.364146  -3.160271  -0.024582   0.091948  -0.056697   0.158010
     7  C   -0.221138   0.017125  -1.777264   0.483586   0.041472  -0.200714
     8  C    0.115146   0.033156  -0.103920   0.114809  -0.465549  -0.005127
     9  O    0.004174   0.001687   0.000493  -0.067762  -0.251684  -0.057415
    10  C   -0.021531  -0.056285   0.147244  -0.290959  -0.058708   0.314647
    11  H   -0.226847  -0.037134  -0.002926   0.020738   0.000444   0.001461
    12  H   -0.033579  -0.200568   0.001417  -0.001978  -0.000181  -0.000102
    13  H    3.903326   0.028610   0.008201   0.189269   0.000311   0.006713
    14  H    0.028610   3.260051  -0.004167   0.004904   0.000576   0.001023
    15  H    0.008201  -0.004167   2.191500  -0.321616  -0.238827   0.132043
    16  C    0.189269   0.004904  -0.321616   5.103751   0.236538  -0.251691
    17  H    0.000311   0.000576  -0.238827   0.236538   2.617607  -0.555304
    18  H    0.006713   0.001023   0.132043  -0.251691  -0.555304   2.048984
    19  H   -0.008862  -0.039489   0.011660   0.027532   0.002371   0.017585
    20  H   -0.000420  -0.000729   0.000338  -0.033055   0.004193  -0.030351
    21  H   -0.047544  -0.000748   0.097486   0.296249  -0.007362  -0.030372
    22  H    0.029494   0.000776  -0.009932   0.055530  -0.026708   0.022862
    23  H   -0.142729  -0.000962  -0.159698   0.021708   0.035458  -0.026978
              19         20         21         22         23
     1  C    0.014934   0.005538   0.015971   0.014241   0.037228
     2  C    0.025316  -0.027940   0.013536  -0.002683  -0.010043
     3  C   -0.100934   0.048534   0.153563  -0.054690  -0.058009
     4  C    0.233353  -0.077884  -0.316914   0.470855  -0.266620
     5  C    0.016239   0.229018   0.101417  -0.112429  -0.009240
     6  C    0.318837  -0.098775  -0.024905   0.002957   0.002479
     7  C    0.047397   0.066135  -0.044909  -0.440135   0.827460
     8  C   -0.037887  -0.005637  -0.160809   0.147933  -0.171387
     9  O   -0.134295   0.005073  -0.004147   0.006329  -0.008134
    10  C   -0.680109   0.204600  -0.019180   0.008700   0.013296
    11  H    0.000684  -0.001773   0.001241   0.001560  -0.000503
    12  H   -0.000015   0.003073   0.000215   0.000011  -0.001034
    13  H   -0.008862  -0.000420  -0.047544   0.029494  -0.142729
    14  H   -0.039489  -0.000729  -0.000748   0.000776  -0.000962
    15  H    0.011660   0.000338   0.097486  -0.009932  -0.159698
    16  C    0.027532  -0.033055   0.296249   0.055530   0.021708
    17  H    0.002371   0.004193  -0.007362  -0.026708   0.035458
    18  H    0.017585  -0.030351  -0.030372   0.022862  -0.026978
    19  H    2.096269  -0.448125   0.001389   0.000604   0.003103
    20  H   -0.448125   1.290796   0.001391  -0.002984   0.000849
    21  H    0.001389   0.001391   2.034087  -0.455384  -0.307010
    22  H    0.000604  -0.002984  -0.455384   2.172267  -0.514841
    23  H    0.003103   0.000849  -0.307010  -0.514841   2.083670
 Mulliken charges:
               1
     1  C    0.082868
     2  C    0.322722
     3  C    0.710608
     4  C    1.287675
     5  C    0.301751
     6  C    0.557164
     7  C    0.124054
     8  C    1.517978
     9  O   -0.602438
    10  C    1.041470
    11  H   -0.849257
    12  H   -0.804041
    13  H   -1.074793
    14  H   -1.020984
    15  H   -0.401210
    16  C    1.168196
    17  H   -0.554680
    18  H   -0.348002
    19  H   -0.367558
    20  H   -0.131864
    21  H   -0.297261
    22  H   -0.314333
    23  H   -0.348065
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.766390
     2  C   -0.481319
     3  C   -0.364185
     4  C    1.287675
     5  C    0.301751
     6  C   -0.463819
     7  C   -0.277156
     8  C    0.615296
     9  O   -0.602438
    10  C    0.542048
    16  C    0.208536
 Electronic spatial extent (au):  <R**2>=           1677.0262
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.3425    Y=              0.8500    Z=              0.6901  Tot=              1.1472
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.7360   YY=            -63.8147   ZZ=            -69.5159
   XY=             -3.9883   XZ=             -1.0971   YZ=             -2.4974
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.2862   YY=              2.2075   ZZ=             -3.4937
   XY=             -3.9883   XZ=             -1.0971   YZ=             -2.4974
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              1.0141  YYY=             -6.9026  ZZZ=             -0.9015  XYY=              8.6165
  XXY=              7.5551  XXZ=              2.3987  XZZ=             -9.0900  YZZ=             -2.3224
  YYZ=             -0.5576  XYZ=              2.1909
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1281.7551 YYYY=           -804.1791 ZZZZ=           -134.5404 XXXY=             -8.0866
 XXXZ=              9.1952 YYYX=              2.2247 YYYZ=             -6.1160 ZZZX=              1.8226
 ZZZY=              1.5438 XXYY=           -372.5378 XXZZ=           -267.1147 YYZZ=           -165.8866
 XXYZ=            -10.7800 YYXZ=             -3.0830 ZZXY=              1.3534
 N-N= 6.057210306157D+02 E-N=-2.288446980206D+03  KE= 4.608862137582D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:51:08 2021, MaxMem= 10737418240 cpu:               8.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.45743460D-01 3.25034285D-01 2.64045368D-01
 Polarizability= 1.40762099D+02-3.06458608D+00 1.25808478D+02
                 7.49566707D-01-4.70672392D+00 7.75810690D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3957   -0.3961       -1.3905   -1.3926
 2      0.3957    0.3961        2.4264    2.4264       -8.7866   -8.7830
 3      1.3905    1.3926       34.0625   34.0626       -2.4321   -2.4264
 4     -2.4264   -2.4264        0.0000    0.0000        1.3941    1.3926
 5    -25.2759  -25.2796       -1.3941   -1.3926       -0.3963   -0.3961
 6      2.4321    2.4264        0.3963    0.3961        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1883    1.1883       -4.1778   -4.1778
 2     -7.2791   -7.2791       -0.0000    0.0000       -4.1778   -4.1778
 3     -7.2791   -7.2791        1.1883    1.1883       -0.0000    0.0000
 4      1.1883    1.1883        7.2791    7.2791      -26.3491  -26.3491
 5      4.1778    4.1778      102.1878  102.1878       -7.2791   -7.2791
 6    -75.8387  -75.8387       -4.1778   -4.1778       -1.1883   -1.1883
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0024    0.0000        1.6012    1.5844        5.6043    5.5704
 2     -1.6180   -1.5844       -9.7500   -9.7055       35.0800   35.1321
 3     -5.3579   -5.5704     -136.2079 -136.2503        9.7774    9.7055
 4      9.7212    9.7055        0.0115    0.0000       -5.5591   -5.5704
 5    101.2353  101.1183        5.4288    5.5704        1.3727    1.5844
 6     -9.9048   -9.7055       -1.8489   -1.5844       -0.1134    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0269    0.0000       -4.6401   -4.5652       -5.7495   -5.9809
 2      4.6460    4.5652      -50.4748  -50.3389       35.3670   35.4013
 3      6.1715    5.9809       10.0168    9.7402       50.4079   50.3389
 4     50.4761   50.3389       -0.0614    0.0000        5.8978    5.9809
 5    -45.3063  -45.1415       -6.0614   -5.9809       -5.0011   -4.5652
 6    -50.2305  -50.3389        4.6479    4.5652        0.2911    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.9961  -11.0287      -39.5920  -39.7692        3.1883    3.4261
 2     74.2880   74.2248      -36.0763  -35.9021        2.6663    3.4261
 3     74.2675   74.2248      -39.9294  -39.7692        6.1407    6.7093
 4     -3.3153   -3.8671      -85.1076  -85.2535       26.6428   26.5868
 5      3.1474    3.2831       29.6370   29.4530       85.5659   85.2535
 6    -56.1521  -56.0398       -3.8896   -3.2831        3.7755    3.8671
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4970   -2.6877    0.0003    0.0004    0.0006    3.9771
 Low frequencies ---   70.1151  123.7402  200.9643
 Diagonal vibrational polarizability:
        5.0317686       3.6155170       7.9829815
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.1145               123.7388               200.9643
 Red. masses --      2.8599                 2.8179                 2.1808
 Frc consts  --      0.0083                 0.0254                 0.0519
 IR Inten    --      0.3599                 0.2363                 1.1164
 RamAct Fr= 1--      2.2422                 2.8078                 1.8292
  Dep-P Fr= 1--      0.7500                 0.7270                 0.6773
  Dep-U Fr= 1--      0.8571                 0.8419                 0.8076
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0023
 Beta2  Fr= 1--      0.3203                 0.3940                 0.2462
 AlphaG Fr= 1--     -0.0000                -0.0026                 0.0041
 Gamma2 Fr= 1--      1.1825                 0.2889                 0.2418
 Delta2 Fr= 1--      0.1520                 0.1276                 0.2245
 Raman1 Fr= 1--       8.969                 11.231                  7.317
 ROA1   Fr= 1--     118.388                 31.816                 30.397
 CID1   Fr= 1--      13.200                  2.833                  4.154
 Raman2 Fr= 1--       3.844                  4.728                  2.955
 ROA2   Fr= 1--      27.165                  5.912                  4.008
 CID2   Fr= 1--       7.068                  1.251                  1.356
 Raman3 Fr= 1--       7.687                  9.455                  5.909
 ROA3   Fr= 1--     118.388                 31.816                 30.397
 CID3   Fr= 1--      15.400                  3.365                  5.144
 RC180  Fr= 1--       0.714                  0.684                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.13    -0.02   0.01  -0.03    -0.03   0.04   0.13
     2   6    -0.00   0.00   0.00    -0.03   0.04   0.18    -0.01   0.03   0.03
     3   6     0.01  -0.02  -0.13    -0.01  -0.02  -0.17    -0.02   0.01   0.00
     4   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.13    -0.00  -0.02  -0.11
     5   6    -0.01   0.02   0.09    -0.01  -0.00  -0.05     0.00  -0.02  -0.11
     6   6    -0.01   0.02   0.10    -0.02   0.03   0.14     0.01  -0.00  -0.11
     7   6     0.01   0.03   0.01    -0.02  -0.00  -0.01     0.00  -0.01  -0.07
     8   6    -0.05  -0.01  -0.17     0.04  -0.00   0.11    -0.03   0.02  -0.07
     9   8     0.06   0.00  -0.11    -0.04   0.02   0.00    -0.02  -0.04   0.07
    10   6    -0.02   0.04   0.12     0.01  -0.04  -0.16    -0.02   0.02   0.10
    11   1     0.01  -0.03  -0.23    -0.03   0.01  -0.04    -0.04   0.07   0.28
    12   1    -0.00   0.01   0.01    -0.04   0.07   0.34    -0.01   0.05   0.09
    13   1     0.01  -0.03  -0.23    -0.02  -0.03  -0.28    -0.04   0.01   0.05
    14   1    -0.01   0.03   0.18    -0.02   0.05   0.27     0.02  -0.00  -0.13
    15   1     0.04   0.20   0.02    -0.16   0.01   0.02    -0.04   0.06  -0.06
    16   6     0.02  -0.07   0.21     0.10  -0.01   0.08     0.11  -0.04   0.05
    17   1     0.00  -0.01  -0.33    -0.01   0.01   0.27    -0.01   0.01  -0.15
    18   1    -0.22  -0.03  -0.17     0.22  -0.03   0.10    -0.11   0.10  -0.06
    19   1     0.04  -0.04   0.27    -0.00   0.08  -0.34    -0.06  -0.10   0.27
    20   1    -0.18   0.18   0.14     0.10  -0.24  -0.21     0.01   0.24   0.17
    21   1    -0.03  -0.27   0.21     0.29  -0.03   0.03     0.52  -0.01  -0.04
    22   1     0.03  -0.02   0.20     0.08  -0.01   0.27     0.06  -0.15   0.45
    23   1     0.07  -0.02   0.38     0.03  -0.01  -0.00    -0.13   0.02  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    231.5161               281.2887               317.3786
 Red. masses --      1.3700                 2.6069                 2.5440
 Frc consts  --      0.0433                 0.1215                 0.1510
 IR Inten    --      0.3468                 0.0741                 8.4091
 RamAct Fr= 1--      0.7809                 0.3072                 0.3852
  Dep-P Fr= 1--      0.7469                 0.2771                 0.4213
  Dep-U Fr= 1--      0.8551                 0.4340                 0.5929
 Alpha2 Fr= 1--      0.0000                 0.0034                 0.0026
 Beta2  Fr= 1--      0.1113                 0.0222                 0.0381
 AlphaG Fr= 1--      0.0004                -0.0025                 0.0093
 Gamma2 Fr= 1--     -0.0854                -0.2622                -0.2239
 Delta2 Fr= 1--      0.0178                 0.0239                -0.0704
 Raman1 Fr= 1--       3.124                  1.229                  1.541
 ROA1   Fr= 1--      -7.630                -24.409                -23.745
 CID1   Fr= 1--      -2.443                -19.867                -15.412
 Raman2 Fr= 1--       1.335                  0.267                  0.457
 ROA2   Fr= 1--      -2.193                 -6.485                 -4.809
 CID2   Fr= 1--      -1.642                -24.323                -10.531
 Raman3 Fr= 1--       2.671                  0.533                  0.913
 ROA3   Fr= 1--      -7.630                -24.409                -23.745
 CID3   Fr= 1--      -2.857                -45.775                -25.997
 RC180  Fr= 1--       0.710                 -0.132                  0.186
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.05    -0.10   0.08  -0.01     0.03   0.02  -0.06
     2   6    -0.00  -0.00  -0.04    -0.03   0.09  -0.05     0.02   0.01  -0.05
     3   6    -0.02  -0.00   0.04    -0.12  -0.02   0.05     0.02   0.03   0.08
     4   6    -0.01  -0.01   0.07    -0.04  -0.09   0.06     0.02   0.02   0.05
     5   6    -0.00  -0.01   0.07     0.00  -0.07   0.06    -0.00   0.02   0.04
     6   6    -0.00  -0.00   0.05     0.04   0.02   0.01     0.00   0.03   0.08
     7   6    -0.00  -0.01   0.03     0.00  -0.04   0.03     0.05   0.00  -0.07
     8   6    -0.00  -0.01  -0.00    -0.04  -0.01  -0.01    -0.07   0.05  -0.12
     9   8     0.03   0.02  -0.08     0.01   0.01  -0.05    -0.11  -0.08   0.17
    10   6    -0.01  -0.01  -0.01    -0.02  -0.06   0.00     0.03  -0.04  -0.11
    11   1    -0.01  -0.01  -0.12    -0.15   0.12  -0.04     0.04   0.00  -0.14
    12   1     0.01  -0.01  -0.11    -0.00   0.15  -0.11     0.02  -0.01  -0.13
    13   1    -0.03  -0.00   0.05    -0.19  -0.04   0.06     0.01   0.03   0.11
    14   1     0.01   0.00   0.06     0.13   0.04  -0.01     0.01   0.04   0.12
    15   1     0.02  -0.04   0.03     0.03  -0.05   0.02     0.14   0.07  -0.07
    16   6     0.01   0.04  -0.03     0.25   0.06  -0.04     0.03  -0.05   0.02
    17   1     0.00  -0.01  -0.01    -0.03  -0.02  -0.05     0.01   0.07  -0.38
    18   1    -0.02  -0.07  -0.01    -0.09  -0.05  -0.01    -0.33   0.25  -0.11
    19   1     0.03   0.01  -0.03    -0.04  -0.05  -0.01     0.02   0.15  -0.41
    20   1    -0.07  -0.06  -0.03    -0.09  -0.09  -0.01     0.23  -0.36  -0.18
    21   1     0.50   0.30  -0.12     0.07   0.00  -0.00     0.10  -0.12  -0.00
    22   1    -0.08  -0.23   0.41     0.33   0.41  -0.22     0.02  -0.08   0.10
    23   1    -0.37   0.08  -0.43     0.59  -0.11   0.04    -0.03  -0.00   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    383.8280               401.0997               435.0432
 Red. masses --      2.9276                 3.0497                 4.3217
 Frc consts  --      0.2541                 0.2891                 0.4819
 IR Inten    --      0.4174                 0.9095                 0.8484
 RamAct Fr= 1--      2.0621                 0.3977                 3.5852
  Dep-P Fr= 1--      0.1051                 0.4196                 0.6736
  Dep-U Fr= 1--      0.1902                 0.5911                 0.8050
 Alpha2 Fr= 1--      0.0357                 0.0027                 0.0048
 Beta2  Fr= 1--      0.0654                 0.0392                 0.4810
 AlphaG Fr= 1--      0.0252                 0.0008                -0.0093
 Gamma2 Fr= 1--     -0.5623                 0.1920                 0.8984
 Delta2 Fr= 1--     -0.1795                 0.0591                 0.5718
 Raman1 Fr= 1--       8.248                  1.591                 14.341
 ROA1   Fr= 1--     -59.724                 20.329                104.548
 CID1   Fr= 1--      -7.241                 12.778                  7.290
 Raman2 Fr= 1--       0.785                  0.470                  5.772
 ROA2   Fr= 1--     -12.060                  4.136                 16.988
 CID2   Fr= 1--     -15.371                  8.796                  2.943
 Raman3 Fr= 1--       1.569                  0.940                 11.544
 ROA3   Fr= 1--     -59.724                 20.329                104.548
 CID3   Fr= 1--     -38.061                 21.617                  9.056
 RC180  Fr= 1--      -0.620                  0.182                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.01  -0.08   0.02    -0.15  -0.06   0.08
     2   6     0.07   0.06   0.13    -0.03  -0.08   0.05    -0.06  -0.05  -0.05
     3   6    -0.00  -0.09  -0.14     0.03   0.03  -0.05    -0.13  -0.09  -0.04
     4   6     0.02  -0.09   0.09    -0.06   0.11   0.02    -0.09  -0.07  -0.05
     5   6     0.08  -0.10  -0.03    -0.03   0.12  -0.02    -0.01  -0.05   0.11
     6   6     0.13  -0.03  -0.11    -0.08   0.00  -0.06    -0.01  -0.07  -0.03
     7   6     0.01   0.01   0.14    -0.11   0.03   0.09    -0.02   0.15  -0.12
     8   6    -0.12   0.05  -0.03    -0.08  -0.13  -0.03     0.12   0.13  -0.07
     9   8    -0.03   0.06   0.03     0.09  -0.13   0.03     0.21   0.08   0.09
    10   6    -0.01  -0.03  -0.03     0.13   0.02  -0.01     0.14  -0.10   0.02
    11   1    -0.04   0.07  -0.01     0.05  -0.12   0.02    -0.18  -0.02   0.16
    12   1     0.08   0.14   0.28    -0.05  -0.13   0.10    -0.04   0.01  -0.14
    13   1    -0.06  -0.13  -0.29     0.16   0.05  -0.10    -0.15  -0.10  -0.10
    14   1     0.21  -0.03  -0.21    -0.20  -0.04  -0.12    -0.01  -0.09  -0.12
    15   1     0.10   0.01   0.12    -0.12   0.05   0.10     0.01   0.24  -0.11
    16   6    -0.09   0.08   0.00     0.06   0.16   0.01    -0.07   0.10   0.05
    17   1    -0.03   0.08  -0.32    -0.04  -0.24  -0.24     0.09  -0.07  -0.07
    18   1    -0.44   0.04  -0.03    -0.30  -0.15  -0.03     0.14   0.29  -0.06
    19   1    -0.12  -0.03  -0.09     0.25   0.09  -0.06     0.13   0.05  -0.24
    20   1     0.01  -0.07  -0.04     0.22  -0.05  -0.02     0.19  -0.39  -0.06
    21   1    -0.13   0.27   0.02     0.10   0.28   0.00    -0.06  -0.04   0.04
    22   1    -0.10  -0.05  -0.07     0.10   0.37   0.01    -0.09   0.01   0.08
    23   1    -0.17   0.07  -0.12     0.23  -0.02  -0.15    -0.14   0.20   0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    453.2907               501.4571               535.4541
 Red. masses --      3.2336                 4.1877                 4.5117
 Frc consts  --      0.3915                 0.6204                 0.7621
 IR Inten    --      5.8594                 1.8608                 1.8224
 RamAct Fr= 1--      1.3330                 2.5927                10.2672
  Dep-P Fr= 1--      0.4024                 0.6966                 0.0632
  Dep-U Fr= 1--      0.5738                 0.8212                 0.1189
 Alpha2 Fr= 1--      0.0098                 0.0024                 0.1965
 Beta2  Fr= 1--      0.1275                 0.3548                 0.2035
 AlphaG Fr= 1--     -0.0070                -0.0028                -0.0370
 Gamma2 Fr= 1--      1.2890                -1.8972                -1.0807
 Delta2 Fr= 1--      0.1301                -0.3236                -0.1707
 Raman1 Fr= 1--       5.332                 10.371                 41.069
 ROA1   Fr= 1--     127.908               -192.484               -109.212
 CID1   Fr= 1--      23.988                -18.560                 -2.659
 Raman2 Fr= 1--       1.530                  4.258                  2.442
 ROA2   Fr= 1--      29.896                -42.943                -24.572
 CID2   Fr= 1--      19.541                -10.085                -10.063
 Raman3 Fr= 1--       3.060                  8.516                  4.884
 ROA3   Fr= 1--     127.908               -192.484               -109.212
 CID3   Fr= 1--      41.803                -22.602                -22.362
 RC180  Fr= 1--       0.148                  0.642                 -0.762
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06   0.11    -0.03   0.04  -0.15     0.14   0.09   0.13
     2   6    -0.07   0.02   0.02    -0.16   0.06   0.11     0.12   0.05  -0.14
     3   6     0.04   0.05  -0.17    -0.02   0.06   0.06     0.10  -0.08  -0.05
     4   6     0.04   0.06   0.13     0.05   0.01   0.10     0.01  -0.04  -0.16
     5   6    -0.08   0.05   0.23    -0.07  -0.09  -0.17    -0.05  -0.07   0.08
     6   6    -0.07   0.01  -0.16    -0.10  -0.01  -0.03     0.04   0.11   0.07
     7   6     0.09  -0.03  -0.02     0.17   0.10   0.06    -0.05   0.12   0.01
     8   6     0.08  -0.01  -0.01     0.20   0.00  -0.07     0.02  -0.05  -0.03
     9   8    -0.06  -0.05  -0.02    -0.01  -0.14   0.01    -0.10  -0.14  -0.05
    10   6    -0.06  -0.03   0.01    -0.03  -0.14   0.02    -0.10  -0.18   0.04
    11   1     0.06   0.02   0.15     0.03  -0.03  -0.29     0.07   0.17   0.32
    12   1    -0.08  -0.04  -0.06    -0.18   0.06   0.29     0.11  -0.06  -0.26
    13   1     0.04  -0.01  -0.51    -0.12   0.05   0.11     0.06  -0.07   0.04
    14   1    -0.03  -0.04  -0.52    -0.04   0.02   0.06     0.11   0.14   0.15
    15   1     0.17  -0.06  -0.04     0.29   0.19   0.05    -0.15   0.24   0.04
    16   6     0.04  -0.08  -0.02    -0.01   0.11   0.03    -0.07   0.21   0.07
    17   1     0.06   0.07   0.09     0.20   0.07  -0.03    -0.02  -0.06   0.11
    18   1     0.17  -0.02  -0.01     0.24   0.00  -0.07     0.15  -0.10  -0.03
    19   1     0.09   0.12  -0.13    -0.04  -0.27   0.21    -0.05  -0.15   0.02
    20   1    -0.13  -0.25  -0.06     0.01   0.11   0.10    -0.19  -0.21   0.01
    21   1     0.08  -0.10  -0.03    -0.10   0.23   0.06    -0.10   0.28   0.08
    22   1     0.03  -0.11   0.02    -0.03  -0.05  -0.08    -0.07   0.20   0.02
    23   1     0.01  -0.05  -0.01    -0.11   0.16  -0.00    -0.06   0.18   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    591.6772               660.4895               725.6996
 Red. masses --      2.9716                 4.5214                 4.0083
 Frc consts  --      0.6129                 1.1621                 1.2437
 IR Inten    --      2.1589                10.6531                 3.5501
 RamAct Fr= 1--      1.9845                 2.5127                12.5054
  Dep-P Fr= 1--      0.3421                 0.4961                 0.0722
  Dep-U Fr= 1--      0.5098                 0.6632                 0.1346
 Alpha2 Fr= 1--      0.0179                 0.0126                 0.2343
 Beta2  Fr= 1--      0.1686                 0.2777                 0.2806
 AlphaG Fr= 1--      0.0118                 0.0018                 0.0630
 Gamma2 Fr= 1--      1.0121                -0.2695                -0.7611
 Delta2 Fr= 1--      0.2768                -0.3624                 0.0708
 Raman1 Fr= 1--       7.938                 10.051                 50.022
 ROA1   Fr= 1--     106.020                -37.472                -70.796
 CID1   Fr= 1--      13.356                 -3.728                 -1.415
 Raman2 Fr= 1--       2.023                  3.333                  3.367
 ROA2   Fr= 1--      22.077                 -3.569                -18.832
 CID2   Fr= 1--      10.911                 -1.071                 -5.593
 Raman3 Fr= 1--       4.047                  6.665                  6.734
 ROA3   Fr= 1--     106.020                -37.472                -70.796
 CID3   Fr= 1--      26.199                 -5.622                -10.513
 RC180  Fr= 1--       0.020                  0.326                 -0.731
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.10     0.20   0.08  -0.07     0.02   0.03  -0.15
     2   6    -0.13  -0.03  -0.15    -0.04   0.06   0.04    -0.09   0.01   0.11
     3   6    -0.00   0.10  -0.10     0.11  -0.10   0.06     0.04   0.23   0.07
     4   6     0.10  -0.01  -0.13    -0.03  -0.04  -0.05     0.11   0.03  -0.18
     5   6     0.01  -0.01  -0.02    -0.17  -0.05  -0.02     0.06  -0.05   0.17
     6   6    -0.06  -0.06   0.10    -0.18   0.19  -0.10     0.09  -0.20  -0.09
     7   6     0.14  -0.06   0.17    -0.03  -0.04   0.03    -0.07   0.01  -0.06
     8   6    -0.00  -0.01   0.02    -0.04   0.03   0.05    -0.08  -0.03   0.02
     9   8     0.04   0.03   0.01     0.18   0.15   0.02     0.01   0.02  -0.02
    10   6     0.01   0.02  -0.01    -0.02  -0.16   0.06    -0.05  -0.09   0.06
    11   1     0.02  -0.01   0.38     0.17   0.11   0.02     0.17  -0.11   0.06
    12   1    -0.13   0.00  -0.16    -0.14  -0.21   0.24    -0.06   0.16   0.24
    13   1    -0.06   0.11   0.07     0.04  -0.08   0.24     0.03   0.29   0.40
    14   1    -0.05  -0.03   0.29    -0.14   0.21   0.01     0.19  -0.18  -0.13
    15   1     0.04  -0.06   0.18    -0.10  -0.14   0.03    -0.21  -0.01  -0.03
    16   6     0.01  -0.02  -0.01     0.02  -0.10  -0.04    -0.03   0.05   0.01
    17   1     0.12   0.12  -0.32     0.03  -0.06  -0.25    -0.09  -0.09   0.03
    18   1    -0.38  -0.09   0.02    -0.35   0.04   0.05    -0.07  -0.03   0.02
    19   1     0.00   0.05  -0.06    -0.08  -0.07  -0.11    -0.02   0.04  -0.13
    20   1     0.04  -0.04  -0.02    -0.01  -0.34   0.01    -0.15  -0.35  -0.03
    21   1    -0.17   0.23   0.05     0.02  -0.11  -0.04     0.01  -0.04  -0.00
    22   1    -0.00  -0.19  -0.23     0.02  -0.08  -0.03    -0.02   0.13   0.08
    23   1    -0.07  -0.03  -0.11     0.03  -0.11  -0.03     0.01   0.05   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    750.3471               771.6745               838.8694
 Red. masses --      1.9002                 1.8036                 4.0448
 Frc consts  --      0.6303                 0.6328                 1.6770
 IR Inten    --     29.2085                28.5776                 0.8743
 RamAct Fr= 1--      6.0702                 3.4968                 4.8873
  Dep-P Fr= 1--      0.1244                 0.3359                 0.1880
  Dep-U Fr= 1--      0.2213                 0.5029                 0.3164
 Alpha2 Fr= 1--      0.1001                 0.0321                 0.0685
 Beta2  Fr= 1--      0.2239                 0.2931                 0.2577
 AlphaG Fr= 1--     -0.0103                 0.0159                -0.0199
 Gamma2 Fr= 1--      0.1951                -1.0526                 0.4181
 Delta2 Fr= 1--      0.1802                 0.0550                 0.1746
 Raman1 Fr= 1--      24.281                 13.987                 19.549
 ROA1   Fr= 1--      24.493                -99.289                 45.720
 CID1   Fr= 1--       1.009                 -7.098                  2.339
 Raman2 Fr= 1--       2.686                  3.517                  3.093
 ROA2   Fr= 1--       3.241                -25.702                  8.637
 CID2   Fr= 1--       1.206                 -7.308                  2.792
 Raman3 Fr= 1--       5.373                  7.034                  6.186
 ROA3   Fr= 1--      24.493                -99.289                 45.720
 CID3   Fr= 1--       4.559                -14.115                  7.391
 RC180  Fr= 1--      -0.557                  0.006                 -0.367
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.09     0.02   0.02  -0.00     0.13   0.14  -0.05
     2   6     0.07  -0.01   0.00    -0.01  -0.02  -0.12    -0.22   0.06  -0.02
     3   6    -0.05  -0.08  -0.00     0.03   0.04  -0.09     0.07  -0.18   0.02
     4   6    -0.04  -0.02  -0.06    -0.00   0.04   0.17     0.07  -0.16   0.01
     5   6    -0.02   0.07   0.10     0.02  -0.03  -0.06     0.01  -0.05   0.07
     6   6     0.01   0.06  -0.09     0.01  -0.04   0.00    -0.06  -0.07   0.01
     7   6     0.06  -0.01   0.05    -0.06   0.01  -0.05     0.00  -0.00  -0.07
     8   6     0.05   0.00  -0.02    -0.03   0.00  -0.00    -0.08  -0.05  -0.00
     9   8    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.04   0.01
    10   6     0.00   0.07   0.02    -0.01  -0.05   0.00     0.10   0.25  -0.06
    11   1    -0.18   0.10   0.45     0.04   0.04   0.50     0.14   0.14   0.18
    12   1     0.04   0.07   0.50    -0.05   0.09   0.52    -0.27  -0.08   0.06
    13   1    -0.05  -0.00   0.48     0.03   0.07   0.06    -0.24  -0.23   0.16
    14   1    -0.09   0.07   0.18     0.01   0.03   0.49     0.11  -0.04  -0.10
    15   1     0.05   0.06   0.06     0.09  -0.06  -0.08     0.07   0.02  -0.07
    16   6     0.02  -0.01   0.00    -0.01  -0.00  -0.01    -0.02   0.09   0.02
    17   1     0.07   0.11  -0.01    -0.07  -0.09   0.09    -0.16  -0.15   0.22
    18   1     0.05  -0.03  -0.02     0.08   0.05  -0.00     0.17  -0.04  -0.00
    19   1     0.13   0.17  -0.07    -0.07  -0.07   0.01     0.20   0.24   0.01
    20   1    -0.04  -0.07  -0.03     0.00  -0.02   0.01     0.16   0.29  -0.04
    21   1    -0.07   0.11   0.03     0.11  -0.16  -0.05    -0.03  -0.01   0.02
    22   1     0.01  -0.11  -0.11    -0.00   0.13   0.15    -0.03   0.03   0.07
    23   1    -0.03  -0.01  -0.06     0.06  -0.01   0.06    -0.08   0.17   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    878.4612               910.0244               942.4821
 Red. masses --      1.3563                 1.6494                 1.3594
 Frc consts  --      0.6167                 0.8048                 0.7114
 IR Inten    --      0.0716                 4.7759                 0.9822
 RamAct Fr= 1--      0.9578                 1.1078                 0.4593
  Dep-P Fr= 1--      0.7418                 0.4370                 0.6086
  Dep-U Fr= 1--      0.8517                 0.6082                 0.7567
 Alpha2 Fr= 1--      0.0001                 0.0072                 0.0012
 Beta2  Fr= 1--      0.1360                 0.1123                 0.0579
 AlphaG Fr= 1--     -0.0007                 0.0215                 0.0015
 Gamma2 Fr= 1--     -0.0033                 0.8848                 0.2191
 Delta2 Fr= 1--      0.2192                 0.6844                -0.1399
 Raman1 Fr= 1--       3.831                  4.431                  1.837
 ROA1   Fr= 1--       6.699                106.846                 16.559
 CID1   Fr= 1--       1.749                 24.111                  9.013
 Raman2 Fr= 1--       1.632                  1.348                  0.695
 ROA2   Fr= 1--      -1.832                 15.761                  6.379
 CID2   Fr= 1--      -1.123                 11.696                  9.177
 Raman3 Fr= 1--       3.263                  2.695                  1.390
 ROA3   Fr= 1--       6.699                106.846                 16.559
 CID3   Fr= 1--       2.053                 39.646                 11.911
 RC180  Fr= 1--       0.703                  0.216                  0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06    -0.04  -0.04  -0.00    -0.01   0.01   0.05
     2   6    -0.00  -0.00  -0.04     0.02  -0.01   0.00    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.10    -0.02   0.00  -0.00     0.01  -0.02  -0.10
     4   6     0.01  -0.02  -0.04     0.02   0.01   0.00     0.00   0.00   0.04
     5   6    -0.00   0.01   0.03    -0.00   0.02  -0.00     0.00   0.00  -0.01
     6   6     0.01  -0.02  -0.10    -0.01   0.04  -0.00     0.01  -0.01  -0.09
     7   6     0.01  -0.00  -0.00     0.10   0.03  -0.05     0.00   0.00   0.00
     8   6    -0.01  -0.01   0.00    -0.08  -0.02   0.12    -0.02   0.00  -0.01
     9   8    -0.01  -0.00  -0.01    -0.00  -0.03  -0.04    -0.00  -0.00  -0.01
    10   6     0.00   0.03   0.02     0.03  -0.03   0.01     0.00   0.01   0.03
    11   1     0.02  -0.05  -0.41    -0.06  -0.01   0.02     0.02  -0.04  -0.27
    12   1    -0.03   0.04   0.30     0.03  -0.00  -0.00     0.03  -0.07  -0.50
    13   1     0.01  -0.10  -0.53    -0.03  -0.00  -0.00    -0.03   0.08   0.53
    14   1    -0.04   0.08   0.61    -0.06   0.03  -0.03    -0.04   0.07   0.54
    15   1    -0.04   0.02   0.01     0.08  -0.32  -0.09     0.09   0.00  -0.02
    16   6     0.00   0.01   0.01     0.04   0.09  -0.04     0.00  -0.00  -0.00
    17   1    -0.01   0.01   0.01    -0.02   0.02  -0.08    -0.05  -0.02   0.08
    18   1    -0.00  -0.03   0.00    -0.28  -0.12   0.11     0.07   0.00  -0.01
    19   1     0.05   0.11  -0.07     0.07  -0.05   0.05     0.04   0.08  -0.06
    20   1    -0.01  -0.09  -0.02    -0.00   0.01   0.01     0.01  -0.10  -0.00
    21   1    -0.03   0.04   0.02    -0.03  -0.38  -0.05     0.01  -0.03  -0.01
    22   1    -0.00  -0.04  -0.03    -0.04  -0.24   0.11     0.00   0.00   0.01
    23   1    -0.03   0.03   0.01    -0.22   0.48   0.44    -0.00   0.01   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    961.0338               964.6707               980.2272
 Red. masses --      1.8165                 1.3013                 2.3635
 Frc consts  --      0.9884                 0.7135                 1.3380
 IR Inten    --      4.6868                 0.7389                28.7010
 RamAct Fr= 1--      0.8116                 0.3110                 1.7272
  Dep-P Fr= 1--      0.3064                 0.1906                 0.4055
  Dep-U Fr= 1--      0.4691                 0.3202                 0.5770
 Alpha2 Fr= 1--      0.0082                 0.0043                 0.0125
 Beta2  Fr= 1--      0.0635                 0.0166                 0.1661
 AlphaG Fr= 1--     -0.0144                 0.0103                -0.0202
 Gamma2 Fr= 1--     -0.4285                 0.2045                -0.1027
 Delta2 Fr= 1--     -0.2865                -0.1785                 0.1238
 Raman1 Fr= 1--       3.247                  1.244                  6.909
 ROA1   Fr= 1--     -50.304                 13.923                 -5.900
 CID1   Fr= 1--     -15.494                 11.193                 -0.854
 Raman2 Fr= 1--       0.762                  0.199                  1.993
 ROA2   Fr= 1--      -7.992                  6.337                 -3.456
 CID2   Fr= 1--     -10.494                 31.827                 -1.734
 Raman3 Fr= 1--       1.523                  0.398                  3.987
 ROA3   Fr= 1--     -50.304                 13.923                 -5.900
 CID3   Fr= 1--     -33.030                 34.961                 -1.480
 RC180  Fr= 1--      -0.062                 -0.360                  0.154
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.02  -0.09     0.02   0.01   0.01
     2   6     0.01   0.01   0.04    -0.01   0.01   0.07    -0.06   0.01  -0.01
     3   6    -0.01  -0.02   0.02    -0.00   0.02   0.06     0.01  -0.03   0.00
     4   6     0.01   0.00  -0.00    -0.00   0.00   0.01    -0.02   0.00  -0.02
     5   6    -0.01  -0.00   0.02     0.00  -0.00  -0.01     0.03   0.01   0.04
     6   6     0.01  -0.02  -0.03    -0.00   0.00  -0.03    -0.00  -0.02  -0.02
     7   6    -0.01  -0.06  -0.01     0.00   0.02   0.01    -0.05  -0.02   0.04
     8   6     0.15  -0.08  -0.01    -0.05   0.03   0.00     0.04   0.20   0.07
     9   8     0.02   0.03   0.05    -0.01  -0.01  -0.02    -0.08  -0.07  -0.09
    10   6    -0.10   0.06  -0.05     0.04  -0.02   0.01     0.15  -0.07  -0.00
    11   1    -0.06   0.07   0.22    -0.02   0.07   0.61     0.05  -0.03  -0.05
    12   1     0.04  -0.00  -0.26     0.02  -0.08  -0.49    -0.07  -0.01   0.01
    13   1    -0.01  -0.05  -0.12     0.03  -0.05  -0.44     0.02  -0.03   0.05
    14   1    -0.00   0.02   0.20    -0.03   0.04   0.27     0.03   0.01   0.08
    15   1    -0.06  -0.35  -0.04     0.01   0.11   0.02    -0.18  -0.24   0.03
    16   6    -0.08   0.07   0.00     0.02  -0.02   0.00    -0.07  -0.03  -0.02
    17   1     0.28   0.02  -0.36    -0.08   0.00   0.10     0.16   0.49  -0.17
    18   1    -0.22  -0.10  -0.00     0.06   0.03   0.00    -0.21   0.12   0.05
    19   1    -0.14   0.03  -0.03     0.03  -0.03   0.02     0.28  -0.17   0.22
    20   1    -0.10   0.09  -0.04     0.04  -0.00   0.02     0.09   0.16   0.05
    21   1     0.16  -0.17  -0.06    -0.05   0.07   0.02     0.15  -0.14  -0.07
    22   1    -0.05   0.37   0.28     0.01  -0.11  -0.09    -0.03   0.29   0.18
    23   1     0.14  -0.01   0.11    -0.03  -0.01  -0.04     0.17  -0.18  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.7519              1050.2594              1068.6883
 Red. masses --      1.9089                 2.7252                 2.4108
 Frc consts  --      1.1811                 1.7711                 1.6222
 IR Inten    --      5.1264                 2.1061                 5.7955
 RamAct Fr= 1--      4.4000                 7.5304                45.0355
  Dep-P Fr= 1--      0.3143                 0.2298                 0.0452
  Dep-U Fr= 1--      0.4783                 0.3737                 0.0864
 Alpha2 Fr= 1--      0.0432                 0.0944                 0.8999
 Beta2  Fr= 1--      0.3507                 0.4690                 0.6488
 AlphaG Fr= 1--     -0.0332                 0.0071                 0.2091
 Gamma2 Fr= 1--     -0.6211                 1.7629                -1.8696
 Delta2 Fr= 1--     -0.1552                -0.2645                -1.9808
 Raman1 Fr= 1--      17.600                 30.121                180.142
 ROA1   Fr= 1--     -64.595                160.779               -242.866
 CID1   Fr= 1--      -3.670                  5.338                 -1.348
 Raman2 Fr= 1--       4.209                  5.628                  7.786
 ROA2   Fr= 1--     -13.665                 44.427                -29.023
 CID2   Fr= 1--      -3.247                  7.894                 -3.728
 Raman3 Fr= 1--       8.418                 11.256                 15.571
 ROA3   Fr= 1--     -64.595                160.779               -242.866
 CID3   Fr= 1--      -7.674                 14.283                -15.597
 RC180  Fr= 1--      -0.043                 -0.253                 -0.827
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.01    -0.07  -0.11   0.02     0.09   0.16  -0.02
     2   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.17  -0.11   0.03
     3   6    -0.00   0.01   0.02     0.00   0.08  -0.01    -0.11   0.11  -0.03
     4   6     0.05  -0.03  -0.01     0.10  -0.06  -0.02    -0.02  -0.05   0.00
     5   6     0.01  -0.00  -0.12     0.01  -0.02   0.10    -0.04  -0.00   0.01
     6   6    -0.02   0.05   0.04    -0.04   0.17  -0.05    -0.06  -0.08   0.00
     7   6     0.03  -0.10   0.01     0.05  -0.16  -0.05     0.00  -0.08  -0.01
     8   6    -0.03   0.02  -0.05    -0.08   0.01  -0.03    -0.01   0.05  -0.01
     9   8    -0.02   0.01  -0.05     0.01   0.04   0.04     0.02  -0.01  -0.00
    10   6     0.01   0.02   0.17     0.05  -0.05  -0.12     0.01   0.00  -0.02
    11   1    -0.02  -0.02   0.05     0.06  -0.24  -0.01    -0.03   0.30  -0.05
    12   1    -0.00  -0.03  -0.01    -0.05  -0.12   0.05     0.10  -0.39   0.07
    13   1    -0.02  -0.01  -0.10     0.06   0.09   0.02    -0.52   0.02  -0.01
    14   1    -0.03   0.01  -0.19     0.01   0.20   0.06    -0.49  -0.20   0.01
    15   1     0.23  -0.22  -0.04     0.26  -0.09  -0.08     0.03  -0.10  -0.02
    16   6    -0.07   0.05   0.03    -0.06   0.07   0.08     0.01   0.03   0.03
    17   1    -0.08   0.16   0.18    -0.17  -0.10   0.19    -0.01   0.04   0.03
    18   1     0.18  -0.01  -0.05     0.18   0.18  -0.02     0.05   0.10  -0.01
    19   1     0.15   0.38  -0.30    -0.15  -0.35   0.23     0.05  -0.04   0.05
    20   1     0.08  -0.51   0.00     0.02   0.38   0.02     0.04   0.08   0.01
    21   1     0.09  -0.01  -0.01    -0.01   0.24   0.08    -0.06   0.09   0.05
    22   1    -0.04   0.29   0.19    -0.03   0.24   0.06     0.01   0.01  -0.03
    23   1     0.10  -0.04   0.03     0.05  -0.06  -0.06    -0.04   0.06   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1116.9134              1126.3546              1145.6700
 Red. masses --      2.2845                 3.3563                 1.9580
 Frc consts  --      1.6791                 2.5088                 1.5142
 IR Inten    --     14.1859                48.6144                 3.7843
 RamAct Fr= 1--      5.0225                 2.7673                 0.4510
  Dep-P Fr= 1--      0.3850                 0.7490                 0.7210
  Dep-U Fr= 1--      0.5560                 0.8565                 0.8379
 Alpha2 Fr= 1--      0.0392                 0.0000                 0.0002
 Beta2  Fr= 1--      0.4654                 0.3950                 0.0630
 AlphaG Fr= 1--      0.0984                 0.0023                -0.0024
 Gamma2 Fr= 1--     -0.5753                -0.4502                 0.2701
 Delta2 Fr= 1--      1.1426                -0.5526                 0.1009
 Raman1 Fr= 1--      20.090                 11.069                  1.804
 ROA1   Fr= 1--     -18.665                -60.903                 29.162
 CID1   Fr= 1--      -0.929                 -5.502                 16.165
 Raman2 Fr= 1--       5.585                  4.740                  0.756
 ROA2   Fr= 1--     -22.948                 -6.384                  5.677
 CID2   Fr= 1--      -4.109                 -1.347                  7.511
 Raman3 Fr= 1--      11.169                  9.481                  1.511
 ROA3   Fr= 1--     -18.665                -60.903                 29.162
 CID3   Fr= 1--      -1.671                 -6.424                 19.294
 RC180  Fr= 1--       0.112                  0.713                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.00     0.05   0.02   0.00     0.03  -0.05   0.01
     2   6     0.05  -0.01   0.00    -0.03  -0.02  -0.00    -0.00  -0.05   0.01
     3   6    -0.00   0.01   0.01    -0.04   0.01   0.01    -0.06   0.11  -0.02
     4   6     0.09  -0.03  -0.06    -0.07   0.01  -0.06    -0.02  -0.08   0.02
     5   6    -0.04  -0.03   0.03     0.06   0.02   0.04    -0.01  -0.09  -0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00  -0.00     0.04   0.11  -0.01
     7   6     0.05   0.15   0.13    -0.02   0.04   0.17    -0.08   0.03   0.06
     8   6    -0.08   0.04   0.01     0.04  -0.14  -0.17     0.05   0.06  -0.02
     9   8     0.07  -0.07   0.02    -0.14   0.15   0.04     0.03  -0.06   0.00
    10   6    -0.06   0.03  -0.05     0.17  -0.08   0.03    -0.05   0.09  -0.01
    11   1    -0.16   0.12  -0.04     0.13  -0.05  -0.00     0.34  -0.35   0.08
    12   1     0.07   0.06   0.01    -0.09  -0.23   0.04    -0.11  -0.42   0.04
    13   1    -0.06  -0.02  -0.05    -0.13  -0.02  -0.04    -0.21   0.07  -0.03
    14   1    -0.13  -0.03  -0.01    -0.03   0.00  -0.01     0.45   0.22  -0.00
    15   1     0.38   0.19   0.07     0.18  -0.10   0.11    -0.21  -0.02   0.08
    16   6    -0.08  -0.07  -0.11     0.01   0.01  -0.11     0.03  -0.00  -0.05
    17   1    -0.16  -0.18   0.17    -0.05   0.07   0.18     0.05  -0.00  -0.04
    18   1     0.09  -0.02   0.01     0.25  -0.25  -0.16     0.04  -0.02  -0.03
    19   1     0.03  -0.01   0.04    -0.25  -0.21   0.02     0.09   0.16  -0.05
    20   1     0.01   0.08  -0.02     0.09   0.10   0.06    -0.02  -0.03  -0.04
    21   1     0.30  -0.36  -0.20     0.09  -0.42  -0.14    -0.03  -0.17  -0.04
    22   1    -0.04   0.30   0.27    -0.02  -0.07   0.18     0.00  -0.14  -0.00
    23   1     0.23  -0.20   0.02     0.01   0.17   0.24    -0.06   0.11   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1165.4666              1189.0545              1224.9047
 Red. masses --      2.2785                 1.1196                 2.2813
 Frc consts  --      1.8234                 0.9327                 2.0167
 IR Inten    --     26.9554                 0.1001                 9.4151
 RamAct Fr= 1--      1.2660                 6.0792                 0.9849
  Dep-P Fr= 1--      0.6446                 0.6289                 0.7411
  Dep-U Fr= 1--      0.7839                 0.7722                 0.8513
 Alpha2 Fr= 1--      0.0024                 0.0134                 0.0001
 Beta2  Fr= 1--      0.1654                 0.7824                 0.1397
 AlphaG Fr= 1--      0.0176                -0.0036                 0.0014
 Gamma2 Fr= 1--      0.0500                -0.1452                -0.7990
 Delta2 Fr= 1--     -0.7283                -0.4053                -0.2841
 Raman1 Fr= 1--       5.064                 24.317                  3.939
 ROA1   Fr= 1--     -18.505                -26.908                -85.797
 CID1   Fr= 1--      -3.654                 -1.107                -21.779
 Raman2 Fr= 1--       1.985                  9.389                  1.677
 ROA2   Fr= 1--       7.026                 -0.241                -16.904
 CID2   Fr= 1--       3.540                 -0.026                -10.081
 Raman3 Fr= 1--       3.970                 18.778                  3.354
 ROA3   Fr= 1--     -18.505                -26.908                -85.797
 CID3   Fr= 1--      -4.662                 -1.433                -25.584
 RC180  Fr= 1--       0.568                  0.544                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04  -0.04   0.01     0.08   0.02   0.00
     2   6     0.01  -0.04   0.01     0.02   0.05  -0.01    -0.07  -0.01  -0.00
     3   6    -0.06   0.02  -0.01    -0.04  -0.01  -0.00    -0.07  -0.07   0.01
     4   6     0.08  -0.02   0.04     0.02  -0.01   0.00    -0.14   0.08  -0.06
     5   6     0.04  -0.03  -0.01     0.01   0.00   0.00     0.10   0.14  -0.02
     6   6    -0.01   0.06  -0.01    -0.04   0.00  -0.00     0.08  -0.02   0.01
     7   6     0.05   0.13  -0.12    -0.01   0.01   0.00     0.08  -0.03   0.00
     8   6     0.02  -0.13   0.10     0.00   0.00  -0.00    -0.04   0.01   0.05
     9   8    -0.09   0.06  -0.03    -0.00  -0.00   0.00     0.05  -0.03  -0.00
    10   6     0.08  -0.00   0.05     0.00   0.00   0.00    -0.08  -0.04  -0.02
    11   1     0.03  -0.04   0.01     0.44  -0.43   0.09     0.30  -0.20   0.04
    12   1    -0.09  -0.36   0.04     0.16   0.55  -0.07    -0.16  -0.28   0.03
    13   1    -0.39  -0.06   0.02    -0.36  -0.09  -0.00    -0.27  -0.12  -0.02
    14   1     0.04   0.08  -0.01    -0.35  -0.08  -0.01     0.26   0.02   0.00
    15   1    -0.03   0.39  -0.07    -0.04   0.01   0.01     0.57  -0.01  -0.08
    16   6    -0.05  -0.06   0.02     0.00  -0.01  -0.00    -0.03  -0.00   0.02
    17   1     0.11  -0.03  -0.18     0.00  -0.00  -0.00    -0.03  -0.09  -0.01
    18   1    -0.34  -0.13   0.11    -0.00  -0.01  -0.00    -0.01   0.22   0.06
    19   1     0.06   0.04  -0.02    -0.00   0.01  -0.01    -0.10  -0.07   0.01
    20   1    -0.04  -0.06   0.00    -0.01  -0.00  -0.00    -0.23  -0.07  -0.04
    21   1     0.11   0.16  -0.01     0.00   0.00  -0.00     0.06   0.06   0.00
    22   1     0.01   0.25  -0.04     0.01   0.01  -0.01    -0.00   0.09   0.01
    23   1     0.12  -0.25  -0.19    -0.01  -0.00  -0.00     0.06  -0.07  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1233.6758              1254.4559              1298.1978
 Red. masses --      2.3420                 1.1995                 1.4337
 Frc consts  --      2.1001                 1.1121                 1.4236
 IR Inten    --      5.6245                 6.1526                 2.3372
 RamAct Fr= 1--     38.5010                 6.7853                 1.2237
  Dep-P Fr= 1--      0.0813                 0.2410                 0.7499
  Dep-U Fr= 1--      0.1503                 0.3884                 0.8571
 Alpha2 Fr= 1--      0.7055                 0.0825                 0.0000
 Beta2  Fr= 1--      0.9645                 0.4393                 0.1748
 AlphaG Fr= 1--      0.0053                 0.0012                -0.0004
 Gamma2 Fr= 1--      1.7493                 3.8544                -1.2732
 Delta2 Fr= 1--      0.5889                 1.9688                 0.4560
 Raman1 Fr= 1--     154.004                 27.141                  4.895
 ROA1   Fr= 1--     186.777                433.022               -107.636
 CID1   Fr= 1--       1.213                 15.955                -21.990
 Raman2 Fr= 1--      11.574                  5.271                  2.098
 ROA2   Fr= 1--      37.273                 76.755                -34.205
 CID2   Fr= 1--       3.220                 14.561                -16.307
 Raman3 Fr= 1--      23.148                 10.543                  4.195
 ROA3   Fr= 1--     186.777                433.022               -107.636
 CID3   Fr= 1--       8.069                 41.074                -25.657
 RC180  Fr= 1--      -0.699                 -0.223                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.00     0.02  -0.00   0.00     0.00  -0.04   0.01
     2   6    -0.06   0.00  -0.00     0.01   0.00   0.00     0.02  -0.01   0.00
     3   6    -0.00  -0.08   0.01    -0.02  -0.00  -0.00     0.00  -0.03   0.00
     4   6     0.17   0.04   0.03    -0.04   0.03   0.00     0.07   0.10  -0.01
     5   6     0.20   0.10   0.00    -0.03  -0.01   0.03    -0.09   0.02  -0.02
     6   6    -0.02   0.06  -0.01     0.00  -0.02  -0.00    -0.01  -0.04   0.01
     7   6    -0.07   0.01   0.02     0.06   0.02  -0.04     0.02   0.02   0.01
     8   6    -0.00   0.06  -0.04    -0.04   0.00  -0.01    -0.03   0.01  -0.05
     9   8     0.03  -0.05   0.01     0.04  -0.02  -0.01     0.00   0.03   0.03
    10   6    -0.08  -0.04   0.01    -0.02   0.02   0.01     0.01  -0.03  -0.02
    11   1    -0.20   0.14  -0.03     0.05  -0.04   0.01    -0.12   0.08  -0.02
    12   1    -0.16  -0.31   0.03     0.01   0.00   0.01     0.06   0.09  -0.01
    13   1    -0.32  -0.16   0.01    -0.04  -0.00   0.01    -0.50  -0.16  -0.00
    14   1    -0.38  -0.02  -0.02     0.15   0.02   0.01     0.52   0.09   0.03
    15   1    -0.48  -0.06   0.08    -0.10  -0.03  -0.02    -0.20  -0.40  -0.01
    16   6     0.03  -0.00  -0.02    -0.02  -0.01   0.02     0.01  -0.02   0.02
    17   1    -0.04   0.01   0.05    -0.01   0.41   0.11    -0.09  -0.04   0.10
    18   1     0.07  -0.10  -0.05     0.02  -0.44  -0.04     0.09  -0.06  -0.05
    19   1    -0.35  -0.08  -0.09    -0.46  -0.05  -0.12     0.32  -0.01   0.10
    20   1    -0.02  -0.09   0.01     0.56   0.06   0.11    -0.10   0.03  -0.01
    21   1    -0.05  -0.04  -0.00     0.04   0.05   0.01    -0.02   0.10   0.03
    22   1     0.01  -0.07  -0.01     0.00   0.07  -0.02     0.03   0.04  -0.05
    23   1    -0.06   0.06   0.02     0.03  -0.06  -0.04    -0.03  -0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1314.9143              1323.3312              1336.2522
 Red. masses --      1.7385                 1.3335                 2.4560
 Frc consts  --      1.7710                 1.3759                 2.5838
 IR Inten    --      3.4165                 1.6848                 0.5976
 RamAct Fr= 1--     10.2493                10.1724                 5.1813
  Dep-P Fr= 1--      0.2845                 0.5568                 0.2096
  Dep-U Fr= 1--      0.4430                 0.7153                 0.3466
 Alpha2 Fr= 1--      0.1100                 0.0374                 0.0686
 Beta2  Fr= 1--      0.7568                 1.2127                 0.2993
 AlphaG Fr= 1--     -0.0220                 0.0187                 0.0927
 Gamma2 Fr= 1--     -0.6289                 2.6682                -1.0961
 Delta2 Fr= 1--     -0.0533                -1.4563                -0.9948
 Raman1 Fr= 1--      40.997                 40.690                 20.725
 ROA1   Fr= 1--     -62.074                209.547               -137.055
 CID1   Fr= 1--      -1.514                  5.150                 -6.613
 Raman2 Fr= 1--       9.081                 14.553                  3.592
 ROA2   Fr= 1--     -14.666                 75.687                -18.347
 CID2   Fr= 1--      -1.615                  5.201                 -5.108
 Raman3 Fr= 1--      18.163                 29.105                  7.184
 ROA3   Fr= 1--     -62.074                209.547               -137.055
 CID3   Fr= 1--      -3.418                  7.200                -19.079
 RC180  Fr= 1--      -0.114                  0.431                 -0.307
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03  -0.01    -0.01   0.01  -0.00     0.09  -0.10   0.02
     2   6    -0.02  -0.08   0.01    -0.01  -0.02   0.00     0.05   0.10  -0.01
     3   6     0.08  -0.00   0.01     0.02  -0.01  -0.00    -0.11  -0.02  -0.01
     4   6     0.04  -0.05   0.01    -0.01  -0.00   0.02     0.04   0.16  -0.02
     5   6    -0.09   0.12  -0.00    -0.02   0.04  -0.02     0.03  -0.12   0.03
     6   6     0.07   0.01   0.00     0.02  -0.00   0.00    -0.14  -0.05  -0.00
     7   6    -0.05  -0.05   0.02     0.05  -0.11  -0.01    -0.00  -0.10   0.03
     8   6     0.05  -0.00   0.03    -0.04  -0.02  -0.00     0.01  -0.02   0.03
     9   8    -0.03   0.02  -0.06     0.03   0.01   0.04    -0.01  -0.02  -0.05
    10   6    -0.03  -0.04   0.03    -0.01  -0.02  -0.02     0.03   0.05   0.02
    11   1    -0.01  -0.02  -0.00     0.01  -0.01   0.01    -0.17   0.16  -0.03
    12   1     0.05   0.16  -0.01     0.02   0.05  -0.01     0.01  -0.03   0.01
    13   1    -0.33  -0.11  -0.00    -0.10  -0.03   0.01    -0.04  -0.01  -0.00
    14   1     0.17   0.03   0.01     0.07   0.01   0.01     0.29   0.06   0.02
    15   1     0.08   0.25   0.04    -0.30   0.67   0.15    -0.03   0.39   0.10
    16   6     0.01   0.01  -0.03    -0.02   0.03  -0.05     0.01   0.03  -0.04
    17   1     0.05  -0.32  -0.12     0.01   0.43   0.07     0.04  -0.10  -0.08
    18   1    -0.05   0.33   0.04     0.04  -0.10  -0.01     0.03   0.60   0.07
    19   1    -0.16  -0.01  -0.07     0.21  -0.02   0.08    -0.29   0.03  -0.11
    20   1     0.62   0.10   0.15    -0.26  -0.01  -0.05     0.18  -0.01   0.02
    21   1    -0.03  -0.06  -0.02     0.04  -0.12  -0.07    -0.02  -0.08  -0.03
    22   1    -0.01  -0.01   0.07    -0.03   0.06   0.14    -0.02  -0.03   0.10
    23   1    -0.03   0.08   0.07     0.03   0.09   0.14     0.00   0.10   0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1364.5949              1386.1675              1411.6753
 Red. masses --      1.4565                 1.3889                 1.3030
 Frc consts  --      1.5979                 1.5723                 1.5299
 IR Inten    --      8.8509                 5.2948                 5.0977
 RamAct Fr= 1--      7.4392                 3.2743                 1.7327
  Dep-P Fr= 1--      0.2579                 0.4398                 0.2392
  Dep-U Fr= 1--      0.4100                 0.6110                 0.3861
 Alpha2 Fr= 1--      0.0862                 0.0209                 0.0212
 Beta2  Fr= 1--      0.5084                 0.3334                 0.1115
 AlphaG Fr= 1--      0.0330                -0.0614                 0.0430
 Gamma2 Fr= 1--      1.4368                 1.0987                -0.2187
 Delta2 Fr= 1--      0.9897                 1.1150                -0.0732
 Raman1 Fr= 1--      29.757                 13.097                  6.931
 ROA1   Fr= 1--     169.605                141.157                -23.339
 CID1   Fr= 1--       5.700                 10.778                 -3.367
 Raman2 Fr= 1--       6.100                  4.001                  1.338
 ROA2   Fr= 1--      26.566                 17.449                 -4.664
 CID2   Fr= 1--       4.355                  4.361                 -3.486
 Raman3 Fr= 1--      12.201                  8.002                  2.676
 ROA3   Fr= 1--     169.605                141.157                -23.339
 CID3   Fr= 1--      13.901                 17.641                 -8.723
 RC180  Fr= 1--      -0.180                  0.222                 -0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.03  -0.02   0.01    -0.01   0.00  -0.00
     2   6     0.00  -0.01   0.00     0.01   0.05  -0.01     0.00   0.03  -0.00
     3   6     0.02   0.00   0.00    -0.06  -0.02  -0.00    -0.02  -0.01   0.00
     4   6     0.06   0.01  -0.02     0.02   0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.00   0.00     0.05  -0.01   0.01     0.02  -0.01   0.01
     6   6    -0.02   0.00  -0.00    -0.03  -0.02   0.00     0.01  -0.00   0.00
     7   6    -0.17  -0.01  -0.01    -0.02  -0.06  -0.02    -0.01   0.04   0.01
     8   6     0.03  -0.01   0.02     0.03   0.07  -0.00    -0.02  -0.06  -0.01
     9   8     0.02  -0.01   0.02    -0.02   0.04   0.01     0.01   0.02  -0.00
    10   6     0.01   0.01  -0.01    -0.08  -0.05  -0.01    -0.07  -0.03  -0.01
    11   1    -0.12   0.09  -0.03     0.02  -0.01   0.00     0.06  -0.07   0.01
    12   1     0.03   0.08  -0.01    -0.03  -0.10   0.01    -0.04  -0.13   0.02
    13   1    -0.17  -0.05  -0.02     0.11   0.03   0.00     0.14   0.03  -0.00
    14   1     0.08   0.03  -0.00    -0.00  -0.01   0.00    -0.12  -0.04  -0.00
    15   1     0.68   0.12  -0.15     0.15   0.22  -0.01    -0.02  -0.10  -0.00
    16   6     0.05  -0.01   0.00    -0.00   0.03   0.01     0.03  -0.09  -0.05
    17   1     0.11   0.49   0.00    -0.04  -0.31   0.02     0.04   0.26  -0.04
    18   1    -0.10  -0.20   0.01    -0.13  -0.52  -0.04     0.11   0.25   0.00
    19   1    -0.04  -0.03   0.02     0.52   0.10   0.08     0.34   0.10   0.01
    20   1    -0.12  -0.03  -0.03     0.38   0.12   0.10     0.28   0.13   0.08
    21   1    -0.17   0.01   0.05    -0.00  -0.12  -0.01    -0.17   0.41   0.04
    22   1     0.04  -0.03  -0.01    -0.02  -0.10  -0.02     0.06   0.33   0.23
    23   1    -0.15   0.09  -0.05     0.04  -0.03  -0.06    -0.20   0.22   0.28
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.9702              1484.8278              1490.8747
 Red. masses --      1.2896                 1.5869                 1.1700
 Frc consts  --      1.5363                 2.0614                 1.5322
 IR Inten    --     12.7282                 9.5658                 0.6228
 RamAct Fr= 1--      2.9384                 2.9271                15.0222
  Dep-P Fr= 1--      0.4233                 0.3788                 0.6468
  Dep-U Fr= 1--      0.5948                 0.5495                 0.7856
 Alpha2 Fr= 1--      0.0200                 0.0233                 0.0279
 Beta2  Fr= 1--      0.2913                 0.2681                 1.9668
 AlphaG Fr= 1--      0.0392                -0.0362                -0.0495
 Gamma2 Fr= 1--     -0.7786                -1.5997                -2.0067
 Delta2 Fr= 1--     -0.1530                 2.7333                -2.6019
 Raman1 Fr= 1--      11.754                 11.708                 60.089
 ROA1   Fr= 1--     -79.643                -66.101               -275.902
 CID1   Fr= 1--      -6.776                 -5.646                 -4.592
 Raman2 Fr= 1--       3.496                  3.217                 23.601
 ROA2   Fr= 1--     -17.463                -60.259                -27.344
 CID2   Fr= 1--      -4.996                -18.733                 -1.159
 Raman3 Fr= 1--       6.991                  6.433                 47.203
 ROA3   Fr= 1--     -79.643                -66.101               -275.902
 CID3   Fr= 1--     -11.392                -10.275                 -5.845
 RC180  Fr= 1--       0.190                  0.099                  0.571
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.10  -0.05   0.01    -0.04   0.03  -0.01
     2   6     0.00   0.01  -0.00    -0.06  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.01   0.00     0.00   0.06  -0.01    -0.01  -0.03   0.00
     4   6     0.02  -0.00   0.00    -0.07  -0.06   0.00     0.03   0.01   0.00
     5   6     0.01  -0.00   0.00     0.09   0.00   0.01    -0.04   0.02  -0.00
     6   6     0.01   0.00   0.00    -0.05   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.02   0.04   0.01     0.01   0.02   0.00     0.00  -0.00  -0.00
     8   6    -0.03  -0.09  -0.01     0.00  -0.00   0.00     0.03   0.01  -0.02
     9   8     0.02   0.01  -0.00     0.00  -0.01   0.00     0.01  -0.02   0.00
    10   6    -0.06  -0.03  -0.01    -0.03  -0.05   0.01     0.03  -0.06   0.02
    11   1     0.04  -0.05   0.01    -0.26   0.32  -0.06     0.12  -0.13   0.03
    12   1    -0.02  -0.08   0.01     0.08   0.40  -0.05    -0.01  -0.14   0.02
    13   1     0.01  -0.00   0.00    -0.09   0.05  -0.01     0.09  -0.00   0.01
    14   1    -0.07  -0.02  -0.00     0.12   0.10  -0.01     0.03  -0.02   0.00
    15   1    -0.01  -0.11  -0.01    -0.00  -0.01   0.00    -0.01   0.00  -0.00
    16   6    -0.02   0.07   0.05    -0.02  -0.02   0.01     0.01   0.01  -0.01
    17   1     0.04   0.41   0.01     0.01   0.03   0.01    -0.09  -0.01   0.31
    18   1     0.09   0.40   0.02    -0.02   0.01   0.00    -0.32   0.04   0.00
    19   1     0.26   0.08  -0.00     0.08   0.23  -0.34    -0.10   0.26  -0.50
    20   1     0.21   0.12   0.06    -0.08   0.38   0.12    -0.25   0.50   0.13
    21   1     0.15  -0.37  -0.03     0.33   0.10  -0.06    -0.17  -0.04   0.03
    22   1    -0.05  -0.32  -0.26     0.02   0.05  -0.27    -0.01  -0.00   0.14
    23   1     0.16  -0.20  -0.27    -0.03   0.08   0.19     0.00  -0.04  -0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1497.0047              1505.6821              1507.0240
 Red. masses --      1.1296                 1.1965                 1.0544
 Frc consts  --      1.4915                 1.5983                 1.4109
 IR Inten    --      0.2991                 5.3570                 9.9638
 RamAct Fr= 1--      1.8270                 6.4261                 6.3349
  Dep-P Fr= 1--      0.6320                 0.5551                 0.5926
  Dep-U Fr= 1--      0.7745                 0.7139                 0.7442
 Alpha2 Fr= 1--      0.0039                 0.0239                 0.0186
 Beta2  Fr= 1--      0.2359                 0.7646                 0.7857
 AlphaG Fr= 1--     -0.0045                -0.0327                -0.0281
 Gamma2 Fr= 1--     -0.7987                 5.6896                -0.3430
 Delta2 Fr= 1--     -0.8242                 1.0851                -0.6825
 Raman1 Fr= 1--       7.308                 25.704                 25.340
 ROA1   Fr= 1--    -103.051                580.928                -54.764
 CID1   Fr= 1--     -14.101                 22.600                 -2.161
 Raman2 Fr= 1--       2.830                  9.175                  9.428
 ROA2   Fr= 1--     -12.576                127.870                 -2.772
 CID2   Fr= 1--      -4.443                 13.936                 -0.294
 Raman3 Fr= 1--       5.660                 18.351                 18.857
 ROA3   Fr= 1--    -103.051                580.928                -54.764
 CID3   Fr= 1--     -18.205                 31.656                 -2.904
 RC180  Fr= 1--       0.549                  0.428                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00     0.05  -0.01   0.00     0.00   0.01  -0.00
     2   6     0.02   0.04  -0.00    -0.03  -0.04   0.00     0.00  -0.01   0.00
     3   6     0.01  -0.02   0.00    -0.02   0.02  -0.00    -0.01  -0.00  -0.00
     4   6     0.02   0.02  -0.00    -0.03  -0.03   0.00     0.02  -0.01   0.00
     5   6    -0.03  -0.00  -0.00     0.04   0.00   0.00     0.00   0.01  -0.00
     6   6     0.02  -0.02   0.00    -0.01   0.02  -0.00    -0.01  -0.00  -0.00
     7   6    -0.03  -0.02   0.01     0.03   0.02  -0.00    -0.03   0.01  -0.01
     8   6     0.04   0.00  -0.03     0.05  -0.02  -0.04     0.01  -0.01  -0.01
     9   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    10   6     0.00   0.02  -0.01    -0.03   0.02  -0.01    -0.00   0.00  -0.00
    11   1     0.06  -0.09   0.02    -0.08   0.12  -0.02     0.01  -0.00   0.00
    12   1    -0.03  -0.14   0.02     0.03   0.17  -0.02     0.01   0.02  -0.00
    13   1     0.02  -0.02   0.00     0.00   0.03  -0.01    -0.00   0.00   0.01
    14   1    -0.06  -0.04   0.00     0.04   0.04  -0.00     0.03   0.01   0.00
    15   1     0.03   0.04   0.01    -0.07  -0.04   0.01     0.04  -0.04  -0.04
    16   6    -0.03  -0.02   0.02     0.02   0.00  -0.00    -0.03   0.01  -0.04
    17   1    -0.08   0.02   0.33    -0.13   0.04   0.52    -0.02   0.06   0.12
    18   1    -0.34   0.07  -0.01    -0.51   0.18  -0.00    -0.14   0.01  -0.00
    19   1    -0.02  -0.07   0.10     0.05  -0.11   0.23     0.00  -0.03   0.05
    20   1     0.04  -0.11  -0.04     0.13  -0.22  -0.06     0.02  -0.05  -0.02
    21   1     0.52   0.09  -0.10    -0.28  -0.12   0.05     0.06   0.42  -0.01
    22   1     0.05   0.11  -0.49     0.01   0.09   0.22    -0.12  -0.49   0.21
    23   1    -0.15   0.19   0.27    -0.07  -0.05  -0.21     0.54  -0.14   0.38
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2302              1623.3778              1651.4779
 Red. masses --      2.3410                 6.3282                 5.7243
 Frc consts  --      3.2340                 9.8259                 9.1985
 IR Inten    --     17.3230                 1.5700                 1.8715
 RamAct Fr= 1--      1.0055                17.3067                36.5050
  Dep-P Fr= 1--      0.7175                 0.4440                 0.7202
  Dep-U Fr= 1--      0.8355                 0.6150                 0.8374
 Alpha2 Fr= 1--      0.0006                 0.1087                 0.0187
 Beta2  Fr= 1--      0.1400                 1.7739                 5.0946
 AlphaG Fr= 1--      0.0010                 0.0104                 0.0112
 Gamma2 Fr= 1--     -2.4896                -1.0614                 1.4878
 Delta2 Fr= 1--      0.3956                 0.7353                -2.5611
 Raman1 Fr= 1--       4.022                 69.227                146.020
 ROA1   Fr= 1--    -226.344                -78.368                 60.869
 CID1   Fr= 1--     -56.279                 -1.132                  0.417
 Raman2 Fr= 1--       1.680                 21.287                 61.135
 ROA2   Fr= 1--     -62.915                -31.357                 56.196
 CID2   Fr= 1--     -37.445                 -1.473                  0.919
 Raman3 Fr= 1--       3.360                 42.573                122.271
 ROA3   Fr= 1--    -226.344                -78.368                 60.869
 CID3   Fr= 1--     -67.357                 -1.841                  0.498
 RC180  Fr= 1--       0.671                  0.230                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10  -0.01     0.16  -0.29   0.05     0.22  -0.04   0.02
     2   6     0.06  -0.07   0.01     0.02   0.35  -0.05    -0.17  -0.12   0.01
     3   6    -0.15  -0.05  -0.00    -0.02   0.15  -0.02    -0.33  -0.06  -0.01
     4   6     0.12  -0.10   0.02     0.00  -0.30   0.05     0.20   0.08   0.00
     5   6     0.04   0.15  -0.02    -0.13   0.28  -0.05    -0.24  -0.01  -0.02
     6   6    -0.15  -0.04  -0.00     0.02  -0.16   0.02     0.33   0.10   0.01
     7   6    -0.03   0.03  -0.00     0.01   0.04  -0.01    -0.03  -0.01  -0.00
     8   6    -0.01  -0.01   0.00     0.00  -0.01   0.00    -0.01  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.02   0.00     0.02  -0.03   0.00     0.04   0.00   0.00
    11   1     0.26  -0.13   0.04    -0.36   0.21  -0.06    -0.08   0.27  -0.04
    12   1     0.15   0.19  -0.02    -0.21  -0.40   0.04    -0.09   0.24  -0.04
    13   1     0.56   0.13   0.01    -0.13   0.13  -0.03     0.42   0.13   0.01
    14   1     0.52   0.14   0.02     0.02  -0.17   0.02    -0.45  -0.10  -0.02
    15   1    -0.05   0.00   0.01    -0.07  -0.02   0.00    -0.00   0.02   0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    17   1     0.03   0.04  -0.09     0.02   0.05  -0.02     0.00   0.02  -0.03
    18   1     0.09   0.01   0.00     0.01   0.00   0.01     0.03   0.01   0.00
    19   1    -0.10  -0.12   0.10    -0.15  -0.12   0.05    -0.07  -0.01  -0.04
    20   1    -0.04  -0.14  -0.04    -0.08  -0.09  -0.03    -0.04   0.04   0.01
    21   1     0.09  -0.03  -0.02    -0.01  -0.01  -0.00     0.03  -0.00  -0.00
    22   1     0.02   0.08  -0.11    -0.01   0.00   0.03     0.00  -0.02  -0.05
    23   1    -0.09   0.05   0.01     0.03  -0.04  -0.03    -0.01   0.02   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.1833              2955.3258              3002.0960
 Red. masses --      1.0729                 1.0712                 1.0818
 Frc consts  --      5.4755                 5.5125                 5.7445
 IR Inten    --     46.0850                57.4248                20.8847
 RamAct Fr= 1--    178.7801               176.5663               135.3056
  Dep-P Fr= 1--      0.2155                 0.1070                 0.2325
  Dep-U Fr= 1--      0.3546                 0.1933                 0.3773
 Alpha2 Fr= 1--      2.3292                 3.0388                 1.6834
 Beta2  Fr= 1--     10.5665                 5.6885                 8.5076
 AlphaG Fr= 1--     -3.4812                 0.3174                -0.5079
 Gamma2 Fr= 1--    -18.8542                17.4137                 0.7043
 Delta2 Fr= 1--     -7.0346                 9.8908                -1.9655
 Raman1 Fr= 1--     715.120                706.265                541.223
 ROA1   Fr= 1--   -2035.111               1988.225                  4.717
 CID1   Fr= 1--      -2.846                  2.815                  0.009
 Raman2 Fr= 1--     126.798                 68.262                102.091
 ROA2   Fr= 1--    -396.225                338.804                 32.627
 CID2   Fr= 1--      -3.125                  4.963                  0.320
 Raman3 Fr= 1--     253.596                136.524                204.183
 ROA3   Fr= 1--   -2035.111               1988.225                  4.717
 CID3   Fr= 1--      -8.025                 14.563                  0.023
 RC180  Fr= 1--      -0.291                 -0.613                 -0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01   0.01  -0.08
     8   6    -0.00  -0.00   0.01     0.01   0.01  -0.07     0.01  -0.00  -0.01
     9   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.01   0.03  -0.07     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.01    -0.03   0.02  -0.16     0.17  -0.12   0.95
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
    17   1     0.03  -0.00   0.01    -0.14   0.03  -0.06    -0.10   0.02  -0.03
    18   1    -0.01   0.02  -0.16     0.02  -0.05   0.96     0.00  -0.01   0.14
    19   1     0.04  -0.08  -0.08     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    20   1    -0.13  -0.27   0.93    -0.01  -0.05   0.15    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00    -0.00   0.00  -0.02    -0.03   0.01  -0.11
    22   1    -0.00  -0.00   0.00     0.02  -0.00   0.00    -0.01  -0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.7530              3077.7035              3085.3437
 Red. masses --      1.0372                 1.0880                 1.0944
 Frc consts  --      5.6244                 6.0722                 6.1383
 IR Inten    --     30.6994                23.2431                 8.1161
 RamAct Fr= 1--    185.6535               122.4520                79.5771
  Dep-P Fr= 1--      0.0404                 0.3644                 0.1536
  Dep-U Fr= 1--      0.0777                 0.5342                 0.2663
 Alpha2 Fr= 1--      3.7515                 1.0253                 1.2190
 Beta2  Fr= 1--      2.4053                10.9022                 3.5316
 AlphaG Fr= 1--      0.4032                 2.0455                 0.0510
 Gamma2 Fr= 1--     -1.1029                 4.9725               -24.1158
 Delta2 Fr= 1--     -1.2459                 2.6377               -17.3386
 Raman1 Fr= 1--     742.614                489.808                318.309
 ROA1   Fr= 1--    -145.746                561.772              -2869.957
 CID1   Fr= 1--      -0.196                  1.147                 -9.016
 Raman2 Fr= 1--      28.864                130.826                 42.380
 ROA2   Fr= 1--     -16.501                 98.239               -440.071
 CID2   Fr= 1--      -0.572                  0.751                -10.384
 Raman3 Fr= 1--      57.728                261.652                 84.759
 ROA3   Fr= 1--    -145.746                561.772              -2869.957
 CID3   Fr= 1--      -2.525                  2.147                -33.860
 RC180  Fr= 1--      -0.845                  0.068                 -0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.07   0.01  -0.03
     9   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00   0.00     0.02  -0.06  -0.05     0.00  -0.01  -0.01
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
    15   1    -0.01   0.01  -0.05    -0.00   0.00  -0.01     0.00  -0.01   0.02
    16   6    -0.03   0.03   0.03    -0.00  -0.00  -0.00     0.04  -0.00   0.03
    17   1    -0.01   0.00  -0.00    -0.11   0.02  -0.03     0.80  -0.12   0.26
    18   1     0.00   0.00  -0.04     0.00   0.00  -0.02    -0.01  -0.01   0.12
    19   1     0.00  -0.00  -0.00    -0.27   0.79   0.53    -0.03   0.09   0.06
    20   1     0.00   0.00  -0.00    -0.01  -0.04   0.09    -0.00  -0.00   0.00
    21   1    -0.14   0.05  -0.60     0.00  -0.00   0.02    -0.07   0.03  -0.35
    22   1     0.65  -0.10   0.07     0.02  -0.00   0.00    -0.34   0.05  -0.03
    23   1    -0.20  -0.31   0.16     0.00   0.00  -0.00    -0.02  -0.05   0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3091.4980              3111.5536              3154.1730
 Red. masses --      1.0994                 1.0993                 1.0874
 Frc consts  --      6.1906                 6.2706                 6.3741
 IR Inten    --     62.9792                20.7694                10.4515
 RamAct Fr= 1--    207.7728                44.5163                86.6171
  Dep-P Fr= 1--      0.4752                 0.6075                 0.3981
  Dep-U Fr= 1--      0.6442                 0.7558                 0.5695
 Alpha2 Fr= 1--      1.1469                 0.1170                 0.6460
 Beta2  Fr= 1--     22.3086                 5.6076                 8.2209
 AlphaG Fr= 1--     -0.1232                -0.4717                -0.0848
 Gamma2 Fr= 1--     31.9991                -4.2282                -2.7742
 Delta2 Fr= 1--     19.4610                 0.2114                 0.8089
 Raman1 Fr= 1--     831.091                178.065                346.468
 ROA1   Fr= 1--    3694.667               -399.144               -240.439
 CID1   Fr= 1--       4.446                 -2.242                 -0.694
 Raman2 Fr= 1--     267.703                 67.291                 98.651
 ROA2   Fr= 1--     612.291               -103.169                -73.051
 CID2   Fr= 1--       2.287                 -1.533                 -0.741
 Raman3 Fr= 1--     535.406                134.582                197.303
 ROA3   Fr= 1--    3694.667               -399.144               -240.439
 CID3   Fr= 1--       6.901                 -2.966                 -1.219
 RC180  Fr= 1--       0.288                  0.512                  0.139
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02  -0.08   0.01
     7   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     8   6    -0.04   0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.08  -0.08   0.01
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.30  -0.09   0.03
    13   1     0.00  -0.01   0.00     0.02  -0.08   0.01    -0.01   0.05  -0.01
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.23   0.90  -0.14
    15   1     0.02  -0.01   0.11    -0.01   0.01  -0.06     0.00  -0.00   0.00
    16   6    -0.07   0.00  -0.04    -0.04  -0.06   0.06    -0.00  -0.00   0.00
    17   1     0.46  -0.07   0.15    -0.03   0.00  -0.01     0.00  -0.00   0.00
    18   1    -0.01  -0.01   0.09     0.00   0.00  -0.02    -0.00   0.00  -0.00
    19   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.01   0.02   0.01
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1     0.11  -0.04   0.55    -0.10   0.01  -0.37    -0.00   0.00  -0.00
    22   1     0.62  -0.11   0.05     0.16  -0.04   0.03     0.00  -0.00   0.00
    23   1     0.06   0.12  -0.07     0.44   0.71  -0.34     0.00   0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3171.3889              3184.4470              3194.9557
 Red. masses --      1.0866                 1.0911                 1.0965
 Frc consts  --      6.4390                 6.5189                 6.5946
 IR Inten    --      2.2160                23.2652                18.5988
 RamAct Fr= 1--     94.2073                72.5834               282.2114
  Dep-P Fr= 1--      0.6904                 0.6445                 0.1094
  Dep-U Fr= 1--      0.8168                 0.7838                 0.1972
 Alpha2 Fr= 1--      0.0985                 0.1379                 4.8283
 Beta2  Fr= 1--     12.8252                 9.4824                 9.2766
 AlphaG Fr= 1--     -0.0209                -0.0542                 0.5760
 Gamma2 Fr= 1--      0.5141                -2.7777                 7.4135
 Delta2 Fr= 1--     -1.8804                -4.3339                 3.8963
 Raman1 Fr= 1--     376.829                290.334               1128.846
 ROA1   Fr= 1--     -10.825               -405.343                836.377
 CID1   Fr= 1--      -0.029                 -1.396                  0.741
 Raman2 Fr= 1--     153.903                113.788                111.319
 ROA2   Fr= 1--      27.381                -31.993                146.754
 CID2   Fr= 1--       0.178                 -0.281                  1.318
 Raman3 Fr= 1--     307.805                227.576                222.639
 ROA3   Fr= 1--     -10.825               -405.343                836.377
 CID3   Fr= 1--      -0.035                 -1.781                  3.757
 RC180  Fr= 1--       0.634                  0.568                 -0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.04   0.00    -0.00   0.00  -0.00    -0.04  -0.04   0.00
     2   6     0.03  -0.01   0.00     0.06  -0.01   0.01    -0.05   0.01  -0.01
     3   6    -0.01   0.04  -0.01     0.01  -0.06   0.01     0.01  -0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.00     0.00  -0.02   0.00    -0.00   0.01  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.53   0.53  -0.04     0.03   0.02  -0.00     0.46   0.45  -0.04
    12   1    -0.36   0.10  -0.04    -0.66   0.18  -0.07     0.51  -0.14   0.05
    13   1     0.11  -0.46   0.07    -0.16   0.67  -0.11    -0.13   0.50  -0.08
    14   1    -0.06   0.23  -0.04    -0.04   0.19  -0.03     0.03  -0.13   0.02
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    22   1    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.02  -0.04   0.02     0.03   0.04  -0.02     0.02   0.03  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   996.891241706.956472592.86493
           X            0.99875  -0.04963  -0.00662
           Y            0.04959   0.99875  -0.00625
           Z            0.00693   0.00591   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08688     0.05074     0.03340
 Rotational constants (GHZ):           1.81037     1.05729     0.69604
 Zero-point vibrational energy     518372.1 (Joules/Mol)
                                  123.89391 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    100.88   178.03   289.14   333.10   404.71
          (Kelvin)            456.64   552.24   577.09   625.93   652.18
                              721.48   770.40   851.29   950.30  1044.12
                             1079.58  1110.27  1206.95  1263.91  1309.32
                             1356.02  1382.71  1387.95  1410.33  1474.39
                             1511.09  1537.60  1606.99  1620.57  1648.36
                             1676.85  1710.78  1762.36  1774.98  1804.88
                             1867.82  1891.87  1903.98  1922.57  1963.35
                             1994.39  2031.09  2045.90  2136.34  2145.04
                             2153.86  2166.34  2168.27  2203.10  2335.68
                             2376.11  4234.58  4252.05  4319.35  4364.89
                             4428.13  4439.12  4447.98  4476.83  4538.15
                             4562.92  4581.71  4596.83
 
 Zero-point correction=                           0.197438 (Hartree/Particle)
 Thermal correction to Energy=                    0.206535
 Thermal correction to Enthalpy=                  0.207479
 Thermal correction to Gibbs Free Energy=         0.163309
 Sum of electronic and zero-point Energies=           -463.528572
 Sum of electronic and thermal Energies=              -463.519474
 Sum of electronic and thermal Enthalpies=            -463.518530
 Sum of electronic and thermal Free Energies=         -463.562700
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.603             36.702             92.964
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.868
 Vibrational            127.825             30.741             22.207
 Vibration     1          0.598              1.968              4.150
 Vibration     2          0.610              1.929              3.041
 Vibration     3          0.638              1.839              2.124
 Vibration     4          0.653              1.793              1.867
 Vibration     5          0.681              1.708              1.526
 Vibration     6          0.704              1.640              1.324
 Vibration     7          0.753              1.505              1.024
 Vibration     8          0.767              1.468              0.959
 Vibration     9          0.796              1.394              0.842
 Vibration    10          0.812              1.354              0.786
 Vibration    11          0.857              1.247              0.654
 Vibration    12          0.890              1.172              0.575
 Vibration    13          0.949              1.050              0.464
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.764065D-75        -75.116869       -172.962984
 Total V=0       0.498886D+16         15.698001         36.145984
 Vib (Bot)       0.143457D-88        -88.843277       -204.569206
 Vib (Bot)    1  0.294147D+01          0.468564          1.078909
 Vib (Bot)    2  0.165007D+01          0.217502          0.500817
 Vib (Bot)    3  0.991825D+00         -0.003565         -0.008209
 Vib (Bot)    4  0.850166D+00         -0.070496         -0.162323
 Vib (Bot)    5  0.683037D+00         -0.165556         -0.381206
 Vib (Bot)    6  0.593222D+00         -0.226783         -0.522187
 Vib (Bot)    7  0.469794D+00         -0.328093         -0.755462
 Vib (Bot)    8  0.444011D+00         -0.352607         -0.811907
 Vib (Bot)    9  0.398928D+00         -0.399106         -0.918975
 Vib (Bot)   10  0.377304D+00         -0.423309         -0.974705
 Vib (Bot)   11  0.327326D+00         -0.485019         -1.116797
 Vib (Bot)   12  0.297159D+00         -0.527011         -1.213488
 Vib (Bot)   13  0.254524D+00         -0.594271         -1.368359
 Vib (V=0)       0.936685D+02          1.971593          4.539761
 Vib (V=0)    1  0.348366D+01          0.542036          1.248084
 Vib (V=0)    2  0.222416D+01          0.347166          0.799380
 Vib (V=0)    3  0.161073D+01          0.207022          0.476686
 Vib (V=0)    4  0.148630D+01          0.172106          0.396288
 Vib (V=0)    5  0.134649D+01          0.129202          0.297499
 Vib (V=0)    6  0.127583D+01          0.105793          0.243597
 Vib (V=0)    7  0.118608D+01          0.074114          0.170654
 Vib (V=0)    8  0.116869D+01          0.067699          0.155883
 Vib (V=0)    9  0.113964D+01          0.056769          0.130715
 Vib (V=0)   10  0.112638D+01          0.051687          0.119013
 Vib (V=0)   11  0.109761D+01          0.040450          0.093139
 Vib (V=0)   12  0.108164D+01          0.034082          0.078477
 Vib (V=0)   13  0.106105D+01          0.025738          0.059264
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.751918D+06          5.876171         13.530383
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 33 22                                                111111111111111111111111111                                         
   11111000 00 99                                                66555444443333322221111100099999 88  777 6  5 5 54443  32 2 2  1    
   98751987 30 54                                                52300998218632195328642165286641 73  752 6  9 3 05308  18 3 0  2 7  
   54142158 42 53                                                13176715226563584459566790505120 89  206 0  2 5 13514  71 2 1  4 0  
 
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   XX XXXXX XX XX                                                  XXX  XXXXX    XXX X XXX XX   X     XX  X       X     X            
   XX XXXXX XX XX                                                  XX   XX  X      X X XX   X         XX  X             X            
   XX  XX X XX XX                                                  X     X           X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X X    X         XX                             
    X  XX X XX XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      X                                                                                                                     
        X      X                                                                                                                     
        X      X                                                                                                                     
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004218    0.000004745    0.000001186
      2        6          -0.000007317   -0.000004185    0.000007188
      3        6           0.000006418    0.000005191   -0.000000002
      4        6          -0.000003848   -0.000018129   -0.000008891
      5        6          -0.000014837    0.000006187    0.000007287
      6        6           0.000005951   -0.000000329    0.000000316
      7        6           0.000013141   -0.000007310   -0.000006620
      8        6           0.000003784    0.000003142   -0.000004274
      9        8          -0.000001841    0.000006961    0.000002894
     10        6           0.000001161   -0.000003390   -0.000004001
     11        1           0.000000120   -0.000000713    0.000000954
     12        1           0.000000159    0.000001738   -0.000000653
     13        1           0.000005766    0.000006870   -0.000003767
     14        1           0.000001115    0.000000981    0.000000294
     15        1           0.000000325    0.000002779   -0.000001671
     16        6           0.000001535   -0.000002629    0.000003609
     17        1           0.000000673   -0.000000673    0.000000325
     18        1          -0.000005606    0.000000359    0.000006161
     19        1           0.000002518   -0.000001241    0.000000665
     20        1           0.000000710    0.000002136   -0.000000428
     21        1          -0.000000854   -0.000002980    0.000000750
     22        1           0.000000353    0.000000064   -0.000000684
     23        1          -0.000005207    0.000000426   -0.000000639
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018129 RMS     0.000004906
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153937D+03 -0.278520D+01  0.792208D+00
      2  -0.278520D+01  0.136371D+03 -0.485276D+01
      3   0.792208D+00 -0.485276D+01  0.858122D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.487463D+01 -0.272469D-01 -0.120416D+02
      2   0.600815D+01 -0.128260D+02 -0.195870D+01
      3   0.747632D+01 -0.483802D+02  0.974476D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.136811D+03  0.868316D+01 -0.712910D+01
      2  -0.739199D+02  0.185358D+02 -0.138384D+02
      3  -0.628913D+02 -0.272189D+02  0.209675D+02
      4   0.591098D+02  0.631776D+02 -0.187499D+02
      5   0.169502D+02 -0.192276D+02 -0.110472D+02
      6  -0.497879D+01  0.135241D+02  0.193406D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.843210D+00  0.196665D+01 -0.782442D+00  0.603529D+01 -0.792443D+00
      2   0.196665D+01  0.228610D+01 -0.216094D+00 -0.792443D+00  0.248181D+01
      3  -0.782442D+00 -0.216094D+00  0.218764D+01  0.102651D+01  0.444044D+00
                 6             7             8             9            10 
      1   0.102651D+01 -0.139775D+01  0.644299D+00  0.416458D+01  0.584287D+01
      2   0.444044D+00  0.644299D+00  0.820745D+00  0.341923D+01 -0.114516D+01
      3   0.255679D+01  0.416458D+01  0.341923D+01 -0.884617D+00 -0.288376D+00
                11            12            13            14            15 
      1  -0.114516D+01 -0.288376D+00 -0.238563D+01 -0.232146D+01  0.959621D+00
      2   0.298266D+01  0.938695D-01 -0.232146D+01 -0.275068D+01  0.927054D-01
      3   0.938695D-01  0.306067D+01  0.959621D+00  0.927054D-01 -0.108117D+01
                16            17            18            19            20 
      1   0.804534D-01  0.105071D+01  0.557085D+01  0.152562D+01 -0.547575D+01
      2   0.105071D+01  0.363554D+00 -0.132361D+01 -0.547575D+01 -0.125680D+01
      3   0.557085D+01 -0.132361D+01  0.120171D+01  0.799726D+00 -0.171802D+00
                21            22            23            24            25 
      1   0.799726D+00  0.542288D+01 -0.127023D+01  0.123248D+00  0.408459D-01
      2  -0.171802D+00 -0.127023D+01  0.259233D+01  0.606674D+00 -0.270621D+00
      3  -0.109900D+01  0.123248D+00  0.606674D+00  0.204496D+01 -0.102121D+00
                26            27            28            29            30 
      1  -0.270621D+00 -0.102121D+00 -0.149317D+02  0.527788D+01 -0.170057D+01
      2   0.393975D+00  0.382602D+01  0.527788D+01 -0.523559D+01  0.783038D+00
      3   0.382602D+01 -0.185938D+01 -0.170057D+01  0.783038D+00 -0.190858D+01
                31            32            33            34            35 
      1   0.867178D+01  0.250429D+01 -0.238308D+00 -0.118354D+01 -0.656165D+00
      2   0.250429D+01  0.245290D+01  0.143152D+00 -0.656165D+00 -0.964087D-01
      3  -0.238308D+00  0.143152D+00  0.300521D-01 -0.295739D+01  0.129587D+01
                36            37            38            39            40 
      1  -0.295739D+01 -0.179822D+00 -0.455986D+01  0.606835D+00 -0.138849D+02
      2   0.129587D+01 -0.455986D+01 -0.714722D+01  0.108259D+01 -0.322012D+01
      3  -0.139797D+01  0.606835D+00  0.108259D+01 -0.154805D+01  0.236584D+00
                41            42            43            44            45 
      1  -0.322012D+01  0.236584D+00  0.224199D+01 -0.822702D-01 -0.198379D+01
      2  -0.714552D+01  0.136102D+00 -0.822702D-01 -0.207653D+00 -0.302285D+01
      3   0.136102D+00 -0.792166D+00 -0.198379D+01 -0.302285D+01  0.738888D+00
                46            47            48            49            50 
      1  -0.362193D+01  0.418973D+01 -0.625462D+00 -0.485960D+01  0.865392D+00
      2   0.418973D+01  0.313421D+01 -0.128429D+00  0.865392D+00 -0.783259D+00
      3  -0.625462D+00 -0.128429D+00 -0.290832D+00  0.542073D-01 -0.666622D+00
                51            52            53            54            55 
      1   0.542073D-01 -0.823621D-01  0.833077D+00  0.169671D+01  0.368983D+01
      2  -0.666622D+00  0.833077D+00 -0.304235D+00 -0.375083D+01 -0.998636D+00
      3  -0.254903D+01  0.169671D+01 -0.375083D+01  0.140993D+01  0.977893D+00
                56            57            58            59            60 
      1  -0.998636D+00  0.977893D+00 -0.130943D+01  0.463743D+01 -0.586099D+00
      2   0.354776D+01 -0.344989D+00  0.463743D+01 -0.217629D+01 -0.194884D+01
      3  -0.344989D+00  0.216441D+01 -0.586099D+00 -0.194884D+01 -0.942474D+00
                61            62            63            64            65 
      1   0.325469D+01 -0.734514D+00  0.329067D+01  0.727877D+01 -0.185984D+01
      2  -0.734514D+00 -0.224620D+01 -0.136774D+01 -0.185984D+01 -0.264362D+01
      3   0.329067D+01 -0.136774D+01  0.856654D+01  0.182102D+01  0.217553D-03
                66            67            68            69            70 
      1   0.182102D+01 -0.477929D+01 -0.143818D+01  0.761141D+00  0.211399D+01
      2   0.217553D-03 -0.143818D+01  0.142340D+01  0.129595D+01  0.100968D+00
      3  -0.371309D+00  0.761141D+00  0.129595D+01 -0.749599D+00  0.215362D+01
                71            72            73            74            75 
      1   0.100968D+00  0.215362D+01 -0.526557D+01 -0.145289D+01 -0.152138D+01
      2   0.181673D+01  0.496410D+00 -0.145289D+01  0.903160D+00 -0.126204D+01
      3   0.496410D+00 -0.827823D+01 -0.152138D+01 -0.126204D+01  0.335027D+00
                76            77            78            79            80 
      1   0.994587D+00 -0.139783D+01 -0.698408D+00 -0.159603D+01  0.359010D+00
      2  -0.139783D+01 -0.509848D+01 -0.136624D+01  0.359010D+00 -0.115870D+01
      3  -0.698408D+00 -0.136624D+01  0.311111D+00 -0.185866D+01 -0.218678D+01
                81            82            83            84            85 
      1  -0.185866D+01  0.333429D+01  0.966769D+00  0.953390D-01  0.157272D+01
      2  -0.218678D+01  0.966769D+00 -0.109505D+01 -0.569285D+00  0.328909D+01
      3   0.220475D+00  0.953390D-01 -0.569285D+00 -0.530188D-01 -0.147023D+01
                86            87            88            89            90 
      1   0.328909D+01 -0.147023D+01 -0.131547D+01 -0.333538D+01  0.239105D+01
      2   0.920769D+01  0.186634D+00 -0.333538D+01 -0.162511D+01  0.644950D+01
      3   0.186634D+00  0.234056D+01  0.239105D+01  0.644950D+01 -0.572924D+01
                91            92            93            94            95 
      1   0.715116D+01  0.455371D+01 -0.342411D+00  0.455020D+01  0.460652D+01
      2   0.455371D+01  0.342472D+01 -0.197879D+00  0.460652D+01  0.530736D+01
      3  -0.342411D+00 -0.197879D+00  0.544511D+00 -0.535725D+00 -0.524581D+00
                96            97            98            99           100 
      1  -0.535725D+00 -0.213696D+00 -0.372465D+00 -0.674764D-01  0.132696D+02
      2  -0.524581D+00 -0.372465D+00 -0.596609D+00 -0.934701D-02 -0.255025D+01
      3   0.558180D+00 -0.674764D-01 -0.934701D-02 -0.309500D-01  0.106033D+01
               101           102           103           104           105 
      1  -0.255025D+01  0.106033D+01 -0.265901D+01  0.218798D+01 -0.457551D+00
      2   0.115371D+01 -0.194013D+00  0.218798D+01 -0.109313D+01  0.242863D+00
      3  -0.194013D+00  0.795979D+00 -0.457551D+00  0.242863D+00 -0.262409D+00
               106           107           108           109           110 
      1   0.111651D+01 -0.527376D+00 -0.203999D-01 -0.101189D+01  0.152708D+01
      2  -0.527376D+00  0.119486D+00 -0.277353D-01  0.152708D+01 -0.972474D+00
      3  -0.203999D-01 -0.277353D-01  0.586527D-01 -0.116023D+00  0.159828D+00
               111           112           113           114           115 
      1  -0.116023D+00  0.130015D+01 -0.110258D+01  0.959650D-01 -0.292424D+00
      2   0.159828D+00 -0.110258D+01  0.898046D+01 -0.141853D+01  0.267807D+00
      3  -0.290786D-01  0.959650D-01 -0.141853D+01  0.872249D+00  0.449697D-01
               116           117           118           119           120 
      1   0.267807D+00  0.449697D-01  0.147604D+01 -0.200413D+01  0.293273D+00
      2  -0.152138D+01  0.266769D+00 -0.200413D+01  0.228000D+01 -0.362862D+00
      3   0.266769D+00 -0.255715D+00  0.293273D+00 -0.362862D+00  0.353504D+00
               121           122           123           124           125 
      1  -0.195640D+01  0.306975D+01 -0.440045D+00  0.510904D+00 -0.489102D+00
      2   0.306975D+01 -0.100134D+02  0.130597D+01 -0.489102D+00  0.140052D+01
      3  -0.440045D+00  0.130597D+01 -0.869012D+00  0.156931D+00 -0.311912D+00
               126           127           128           129           130 
      1   0.156931D+00 -0.256882D+01  0.387636D+00 -0.193365D+01  0.939898D+00
      2  -0.311912D+00  0.387636D+00 -0.702983D+00  0.347403D+00 -0.185781D+01
      3   0.222966D+00 -0.193365D+01  0.347403D+00 -0.176697D+01  0.486633D+00
               131           132           133           134           135 
      1  -0.185781D+01  0.486633D+00 -0.537453D+01  0.153098D+01 -0.355907D+01
      2   0.153089D+01 -0.972423D+00  0.153098D+01 -0.165096D+01  0.152467D+01
      3  -0.972423D+00  0.860643D+00 -0.355907D+01  0.152467D+01 -0.895782D+01
               136           137           138           139           140 
      1   0.871115D+01 -0.357912D+01  0.106023D+01 -0.282467D+00 -0.379780D+01
      2  -0.357912D+01 -0.241521D+01 -0.870665D-02 -0.379780D+01  0.676322D+00
      3   0.106023D+01 -0.870665D-02 -0.182938D+01  0.556956D-01  0.299349D+01
               141           142           143           144           145 
      1   0.556956D-01  0.181779D+01 -0.972929D+00 -0.144023D+01 -0.124261D+02
      2   0.299349D+01 -0.972929D+00  0.410540D+01 -0.291111D+00  0.611763D+00
      3   0.361329D+00 -0.144023D+01 -0.291111D+00 -0.581572D+01 -0.145872D+01
               146           147           148           149           150 
      1   0.611763D+00 -0.145872D+01  0.186298D+01 -0.137306D+01  0.138273D+00
      2  -0.985308D+00  0.224895D-01 -0.137306D+01  0.395479D+00 -0.403908D+00
      3   0.224895D-01 -0.105785D+01  0.138273D+00 -0.403908D+00 -0.163035D-01
               151           152           153           154           155 
      1  -0.313653D+01  0.183574D+00 -0.182689D+01 -0.122739D+01  0.471682D-01
      2   0.183574D+00 -0.733174D+00  0.322376D-01  0.471682D-01  0.382211D+00
      3  -0.182689D+01  0.322376D-01 -0.356750D+00  0.106647D+01  0.149245D-01
               156           157           158           159           160 
      1   0.106647D+01  0.179056D+00 -0.307942D+00 -0.758593D-01  0.216808D+01
      2   0.149245D-01 -0.307942D+00 -0.197173D+00  0.107551D+01 -0.468847D-01
      3   0.270839D+00 -0.758593D-01  0.107551D+01 -0.368412D+00 -0.291166D+01
               161           162           163           164           165 
      1  -0.468847D-01 -0.291166D+01  0.814201D+00 -0.729631D+00 -0.616943D+00
      2   0.154001D+01 -0.195314D+00 -0.729631D+00  0.246866D+01  0.604841D+00
      3  -0.195314D+00  0.805514D+01 -0.616943D+00  0.604841D+00  0.239384D+00
               166           167           168           169           170 
      1  -0.159411D+01 -0.718699D+00  0.188900D+00 -0.886665D+00  0.207836D+00
      2  -0.718699D+00 -0.993566D+01 -0.241708D+01  0.207836D+00 -0.395475D+01
      3   0.188900D+00 -0.241708D+01 -0.163033D+01 -0.239172D+00 -0.291564D+01
               171           172           173           174           175 
      1  -0.239172D+00 -0.153102D+01 -0.114307D+01  0.145409D+01 -0.797823D+00
      2  -0.291564D+01 -0.114307D+01 -0.338533D+00  0.571361D+00 -0.146525D+01
      3  -0.136570D+01  0.145409D+01  0.571361D+00 -0.101976D+01  0.653886D+00
               176           177           178           179           180 
      1  -0.146525D+01  0.653886D+00  0.325428D+01  0.224188D+01 -0.171871D+01
      2  -0.467918D+01  0.235895D+01  0.224188D+01  0.520133D+01 -0.525994D+01
      3   0.235895D+01 -0.174684D+01 -0.171871D+01 -0.525994D+01  0.738280D+01
               181           182           183           184           185 
      1  -0.202546D+00  0.304852D+00  0.748404D+00 -0.378600D+00  0.411779D+00
      2   0.304852D+00  0.727346D+00  0.248151D+00  0.411779D+00  0.204855D+00
      3   0.748404D+00  0.248151D+00  0.127960D+01  0.763387D-01  0.484587D+00
               186           187           188           189           190 
      1   0.763387D-01  0.128227D+01 -0.445656D+00 -0.142767D+00 -0.116014D+02
      2   0.484587D+00 -0.445656D+00  0.171896D+01  0.150041D+01  0.454362D+01
      3  -0.192303D+00 -0.142767D+00  0.150041D+01  0.738657D+01  0.469127D-02
               191           192           193           194           195 
      1   0.454362D+01  0.469127D-02  0.190453D+01 -0.158805D+01  0.133416D-01
      2  -0.306067D+01 -0.242220D+00 -0.158805D+01  0.145473D+01 -0.295866D+00
      3  -0.242220D+00 -0.103598D+01  0.133416D-01 -0.295866D+00  0.144782D+00
               196           197           198           199           200 
      1  -0.129950D+01  0.465471D+00 -0.110439D+01  0.631441D+00  0.112149D+01
      2   0.465471D+00 -0.878574D+00  0.575924D+00  0.112149D+01  0.256293D+01
      3  -0.110439D+01  0.575924D+00  0.170956D+00 -0.602325D+00 -0.230396D+00
               201           202           203           204           205 
      1  -0.602325D+00  0.145317D+01  0.107923D+01 -0.368119D+00 -0.110329D+01
      2  -0.230396D+00  0.107923D+01  0.716452D+01 -0.135254D+01  0.477562D-01
      3   0.778243D+00 -0.368119D+00 -0.135254D+01  0.111938D+01  0.463349D+00
               206           207 
      1   0.477562D-01  0.463349D+00
      2  -0.250697D+01  0.127577D+01
      3   0.127577D+01 -0.482539D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.105844D+01 -0.131786D+00 -0.469488D+01 -0.171153D+01  0.796058D-01
      2  -0.122316D+01 -0.190666D+01  0.474267D+01  0.145036D+01  0.254474D+01
      3  -0.505912D+01 -0.141811D+02  0.120268D+01  0.737201D+01 -0.865920D+00
                 6             7             8             9            10 
      1  -0.612841D+00 -0.849557D+01  0.550260D+01 -0.126208D+01 -0.834192D-01
      2   0.824874D+01  0.537585D+00  0.122875D+02 -0.317812D+01  0.997325D+00
      3  -0.123437D+01 -0.231423D+01 -0.317417D+01 -0.490022D+01  0.385933D+01
                11            12            13            14            15 
      1  -0.863321D-01  0.193807D+01  0.567161D+00  0.277665D+01  0.271121D+01
      2  -0.187813D+00  0.957593D+01  0.325849D+01 -0.155602D+01 -0.392313D+01
      3  -0.114996D+02  0.361483D+00  0.125320D+02 -0.175964D-01  0.165397D+01
                16            17            18            19            20 
      1   0.425918D+01  0.114850D+02 -0.164721D+01 -0.241647D-01 -0.310472D-01
      2   0.984773D+01 -0.578790D+01  0.382385D+01  0.236979D+01 -0.215819D+01
      3  -0.321601D+01  0.736750D+00  0.208187D+01  0.739960D+01 -0.469328D+01
                21            22            23            24            25 
      1   0.409911D+01  0.962531D+00  0.138119D+00 -0.371135D+01  0.259399D+01
      2  -0.259498D+01 -0.164273D+01 -0.229344D+00  0.326663D+01 -0.149648D+02
      3   0.178305D+01  0.513064D+01 -0.874953D+01 -0.714520D+00  0.390021D+01
                26            27            28            29            30 
      1   0.827293D+00  0.141391D+01 -0.428858D+00 -0.188017D+00  0.148994D+01
      2   0.461178D+01 -0.277354D+01  0.129129D+01  0.174532D+01 -0.192165D+01
      3  -0.116262D+01 -0.716981D+01 -0.363937D+01  0.142883D+02 -0.220866D+01
                31            32            33            34            35 
      1  -0.182951D+01  0.186851D+01 -0.665205D+00  0.262080D+01  0.106040D+02
      2   0.788949D+00 -0.104091D+01  0.388158D+00 -0.147347D+02  0.125705D+01
      3   0.132861D+02 -0.119852D+02  0.276322D+01  0.638701D+00  0.255826D+01
                36            37            38            39            40 
      1  -0.540485D+00  0.152934D+01  0.148016D+00 -0.101934D+01 -0.180680D+00
      2  -0.110849D+01  0.938094D-02 -0.412556D+00 -0.125922D+01 -0.344778D+01
      3  -0.263534D+01 -0.689863D+01  0.547440D+01 -0.546849D+00  0.104370D+02
                41            42            43            44            45 
      1   0.226075D+01 -0.791933D+00 -0.336724D+01  0.744457D+01 -0.566181D+00
      2   0.214981D+01 -0.948910D+00 -0.153197D+02 -0.669357D-01  0.182943D+00
      3   0.219990D+02 -0.276702D+01 -0.157132D+01 -0.852518D+00  0.403576D+01
                46            47            48            49            50 
      1  -0.163848D+01  0.291805D+00 -0.169371D+01 -0.267518D+00 -0.357311D+00
      2  -0.295126D+00 -0.515603D+00 -0.136128D+01 -0.170115D+01 -0.157750D+01
      3  -0.771500D+00 -0.134408D+02  0.135924D+01 -0.640637D+00  0.516091D+01
                51            52            53            54            55 
      1  -0.364884D+01  0.247975D+01  0.146048D+01  0.174095D+00  0.110332D+01
      2  -0.619105D+01 -0.102156D+02 -0.991322D+01  0.293760D+01  0.454189D+00
      3   0.893858D+00  0.171199D+01  0.117047D+01  0.717581D+01  0.443799D+01
                56            57            58            59            60 
      1   0.470000D+00 -0.282108D+01 -0.213212D+01  0.465901D+01 -0.172967D+00
      2  -0.754370D+00 -0.115143D+00  0.322954D+00  0.463314D+01  0.595741D+00
      3  -0.137175D+01 -0.810843D+00  0.151198D+02  0.447373D+01 -0.588192D+01
                61            62            63            64            65 
      1  -0.455094D+01  0.796361D+01 -0.566040D+01 -0.545530D+00  0.325094D+00
      2  -0.873441D+01  0.110554D+01 -0.123750D+02 -0.972684D+01  0.123441D+01
      3   0.280787D+01 -0.791586D+01  0.131915D+01 -0.894173D+01 -0.103652D+02
                66            67            68            69            70 
      1  -0.817201D-01  0.137150D+01 -0.153201D+01  0.152201D+01  0.117179D+01
      2   0.974165D+00 -0.112569D+01 -0.303782D+01  0.227125D+01 -0.936180D+01
      3  -0.105544D+00 -0.100590D+02  0.626399D+01  0.482694D+01 -0.125032D+01
                71            72            73            74            75 
      1   0.164336D+01 -0.151834D+00 -0.253817D+01 -0.402830D+00  0.167878D+01
      2  -0.264355D+01  0.206142D+02 -0.185972D-01  0.517628D+00  0.659990D+01
      3   0.352039D+01  0.831814D+00  0.135295D+02 -0.364392D+01  0.216117D+01
                76            77            78            79            80 
      1   0.676759D+00 -0.417235D+00 -0.660206D+01 -0.455830D+01  0.212843D+01
      2   0.956889D+00  0.286528D+01 -0.230384D+01 -0.395507D+01  0.408644D+01
      3   0.819222D+01 -0.133080D+02 -0.493111D+01  0.535183D+01 -0.683595D+01
                81            82            83            84            85 
      1  -0.155191D+01  0.754831D+00 -0.565317D+01 -0.176796D+01 -0.341570D+01
      2   0.854763D+00  0.344929D+01 -0.955742D+00 -0.237588D+01  0.735767D+00
      3  -0.237084D+00 -0.917577D+01 -0.223236D+01 -0.834778D+00  0.740322D+01
                86            87            88            89            90 
      1   0.518220D+01  0.595918D+01  0.884037D+01  0.206908D+02 -0.135078D+02
      2  -0.149160D+01  0.117107D+01 -0.393791D+01 -0.237922D+01  0.556412D+00
      3  -0.307712D+01  0.585522D+01  0.137301D+01  0.118145D+02 -0.974553D+00
                91            92            93            94            95 
      1  -0.964628D-01 -0.302380D+00 -0.234585D+01  0.322591D+00  0.233327D-01
      2   0.369333D+00  0.286474D+00  0.355161D+01 -0.668437D+00 -0.736575D+00
      3  -0.245375D+01 -0.602232D+01  0.621540D-01 -0.510336D+01 -0.103866D+02
                96            97            98            99           100 
      1  -0.272552D+01  0.125752D+01  0.128215D+01  0.198404D+00  0.236621D+00
      2   0.312758D+01 -0.161080D+01 -0.122906D+01 -0.144678D+00  0.166065D+01
      3   0.678752D+00  0.120966D+01  0.172178D+01  0.114083D+00  0.253105D+01
               101           102           103           104           105 
      1   0.383979D+00  0.117544D+01  0.420235D-01 -0.974419D-01 -0.746852D+00
      2  -0.305086D+00  0.593403D+01 -0.124347D+01  0.618220D+00 -0.166118D+01
      3  -0.584477D+01  0.195875D+00 -0.498399D+01  0.311651D+01 -0.570378D+00
               106           107           108           109           110 
      1  -0.737366D+00  0.447473D+00  0.510876D-01 -0.539233D+00  0.368087D+00
      2  -0.273481D+01  0.630948D+00  0.290396D+00 -0.843589D+00  0.868993D+00
      3   0.178562D+01 -0.890821D+00  0.137196D+00 -0.689998D+01  0.543963D+01
               111           112           113           114           115 
      1   0.533677D+00  0.633672D+00 -0.969071D+00 -0.414572D+01 -0.514448D+00
      2   0.118604D+00  0.123370D+01 -0.202381D+01  0.405149D+00 -0.129391D+01
      3  -0.263389D+00  0.884383D+01 -0.159773D+02  0.197564D+01 -0.651785D+00
               116           117           118           119           120 
      1   0.207074D+01  0.435043D+00  0.607882D-01 -0.435787D-01  0.129939D+01
      2   0.290756D+00  0.222718D+00  0.421161D+00 -0.439682D+00  0.112365D+01
      3   0.289441D+01 -0.649605D-01  0.169753D+01 -0.188617D+01  0.366489D+00
               121           122           123           124           125 
      1  -0.328304D-01 -0.279747D+00 -0.448857D+01 -0.101381D+00  0.182861D+01
      2  -0.202773D+00  0.248526D+01 -0.247277D+01 -0.107218D+01  0.325670D+00
      3   0.616859D+00  0.174007D+02 -0.222052D+01  0.400917D+00 -0.232436D+01
               126           127           128           129           130 
      1   0.487368D+00  0.217881D+01  0.851864D+00  0.135093D+01  0.102562D+01
      2   0.160273D+00  0.753715D+00 -0.901109D+00  0.333800D+01 -0.112843D+01
      3  -0.138140D+00 -0.238443D+01 -0.355082D+01 -0.136885D+01 -0.201472D+01
               131           132           133           134           135 
      1  -0.537435D+00 -0.183808D+01  0.220115D+01  0.106398D+01  0.747428D+01
      2   0.235334D+00 -0.128972D+01  0.856871D+00 -0.104571D+01  0.121512D+02
      3   0.926354D+00 -0.117976D+01 -0.378290D+01 -0.445130D+00 -0.458619D+00
               136           137           138           139           140 
      1  -0.458011D+01 -0.131187D+01  0.508918D+01  0.827628D+00 -0.121167D+02
      2  -0.574056D+01  0.273250D+01  0.504744D+01  0.227038D+01 -0.486656D+01
      3   0.162237D+02 -0.202657D+02  0.316861D+01 -0.113519D+02 -0.994882D+01
               141           142           143           144           145 
      1  -0.189888D+01  0.230295D+01  0.454286D+01  0.144440D+02 -0.185805D+00
      2  -0.508014D+00  0.402389D+00  0.142518D+01  0.118992D+02  0.501481D+01
      3   0.772744D+01  0.249836D+01  0.729488D+01 -0.483796D+01  0.500137D+01
               146           147           148           149           150 
      1   0.328462D+00  0.293467D-02 -0.126209D+00 -0.132851D+00 -0.749215D+00
      2  -0.135195D+00  0.632485D+01 -0.545372D+00  0.113563D+01 -0.441405D+00
      3  -0.750535D+01  0.643525D+00 -0.235942D+01  0.219478D+01 -0.132344D+01
               151           152           153           154           155 
      1  -0.485870D+00  0.897921D+00 -0.157222D+00  0.123138D-01  0.505198D+00
      2   0.392332D+01 -0.926657D-01  0.144222D+01 -0.198781D+01  0.155753D+00
      3   0.758487D+00 -0.339024D+01  0.335067D+00  0.160916D+01  0.134060D+01
               156           157           158           159           160 
      1   0.115028D+00  0.311975D-01  0.228670D+00 -0.103718D+01 -0.778256D+00
      2   0.216952D+00  0.118271D+01 -0.283933D+01  0.611546D+00  0.251055D+01
      3  -0.462429D+00  0.200815D+01 -0.288719D+00  0.253260D+01 -0.963490D+00
               161           162           163           164           165 
      1   0.483235D+01  0.132660D+01 -0.126057D+01  0.196359D+01  0.109666D+01
      2   0.100566D+01 -0.204362D+02 -0.291991D+00 -0.715047D+00  0.962224D+00
      3   0.648739D+01  0.891666D+00 -0.277107D+01  0.796477D+00  0.274739D+01
               166           167           168           169           170 
      1  -0.528937D+00 -0.707599D+01 -0.665992D+01 -0.112543D+01 -0.667815D+01
      2  -0.373225D+00  0.170744D+01  0.449342D+00 -0.668219D+00  0.790312D+00
      3   0.547291D+01 -0.626404D+01 -0.306086D+01  0.384309D+01 -0.457604D+01
               171           172           173           174           175 
      1  -0.436315D+01  0.325108D+01  0.995088D+00 -0.231729D+01  0.186706D+01
      2   0.750404D+00  0.127920D+01  0.621891D+00  0.126707D+01  0.315278D+00
      3  -0.177863D+01  0.488181D+01  0.108585D+01 -0.326004D+01  0.201957D+01
               176           177           178           179           180 
      1   0.330164D+01 -0.525421D+01 -0.439744D+01 -0.922156D+01  0.178831D+02
      2  -0.621997D+00  0.864899D+00 -0.212188D+01  0.137271D+01 -0.240623D+01
      3  -0.121340D+01  0.236664D-01 -0.874802D+01 -0.271989D+01 -0.675226D+00
               181           182           183           184           185 
      1  -0.146151D+01  0.327253D+00 -0.316676D+01  0.305208D-01 -0.158831D+01
      2  -0.232911D+01 -0.360521D+00 -0.203015D+01  0.141375D+00 -0.815845D+00
      3   0.693342D+00  0.188240D+01  0.204747D+01  0.125917D+01  0.105803D+01
               186           187           188           189           190 
      1  -0.424625D+00 -0.328355D+00  0.440275D+00 -0.182763D+02  0.808513D+00
      2   0.271852D+00 -0.374607D+01 -0.239523D+01 -0.139877D+02  0.377616D+01
      3   0.785198D+00  0.278045D+01  0.275281D+01  0.382069D+01 -0.201908D+02
               191           192           193           194           195 
      1  -0.265105D+00  0.338254D+01 -0.371138D+00  0.126941D+01 -0.117978D+01
      2  -0.608958D+00  0.529926D+01 -0.101476D+01  0.102748D+01 -0.858426D+00
      3   0.463509D+00 -0.818932D+00  0.349518D+01 -0.254943D+00 -0.104186D+01
               196           197           198           199           200 
      1   0.195254D+01 -0.348345D+00 -0.470896D+00  0.238825D+01  0.145768D+01
      2   0.122449D+01 -0.798920D+00 -0.309299D+00  0.100623D+01 -0.232783D+00
      3  -0.189050D+01 -0.121608D+01 -0.108616D+01  0.871219D+01  0.754851D+01
               201           202           203           204           205 
      1  -0.334307D+01  0.184217D+01  0.574254D+01 -0.574605D+01 -0.162994D+01
      2  -0.510648D+00  0.436960D+00  0.143498D+01 -0.107351D+01 -0.180093D+01
      3  -0.298671D+01  0.102942D+02  0.183491D+02 -0.439445D+01 -0.467162D+01
               206           207 
      1  -0.272520D+01  0.183535D+01
      2  -0.144300D+01  0.436748D+00
      3  -0.544798D+01  0.421360D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.502817D-01 -0.207498D+02  0.177490D+01  0.338443D+02  0.225692D+01
      2  -0.453584D+01  0.141383D+02  0.208453D+01 -0.328158D+02 -0.753468D+01
      3   0.448556D+01  0.661153D+01 -0.385943D+01 -0.102851D+01  0.527776D+01
      4  -0.194545D+02  0.120530D+02 -0.377326D+01  0.353174D+00 -0.168523D+02
      5   0.667618D+00 -0.419114D+01  0.106861D+02  0.371300D+01  0.812297D+01
      6  -0.121323D+01 -0.989624D+00  0.105829D+02  0.623894D+01  0.307352D+01
                 6             7             8             9            10 
      1   0.970870D+00 -0.909905D+01 -0.153760D+01  0.829179D+01 -0.632479D+01
      2  -0.157750D+01  0.977085D+01  0.371040D+01 -0.134500D+02  0.141036D+01
      3   0.606635D+00 -0.671799D+00 -0.217280D+01  0.515818D+01  0.491442D+01
      4   0.802396D+01  0.728320D+00  0.793531D+01  0.168925D+02  0.936975D+01
      5   0.175328D+02  0.294738D+02  0.179211D+02 -0.663301D+01 -0.668472D+01
      6   0.304486D+01  0.101865D+02  0.128124D+02  0.161021D+01  0.878075D+00
                11            12            13            14            15 
      1   0.607073D+01 -0.488688D+01 -0.183277D+02 -0.227876D+02  0.563006D+01
      2  -0.253722D+01  0.163562D+01  0.168991D+02  0.228507D+02 -0.730417D+01
      3  -0.353351D+01  0.325126D+01  0.142860D+01 -0.630972D-01  0.167411D+01
      4   0.249961D+02  0.761589D+00 -0.245406D+02  0.116391D+02 -0.483033D+01
      5   0.298829D+00  0.212781D+02  0.925074D+01 -0.648863D+01 -0.830504D+01
      6  -0.474937D+00 -0.466094D+01 -0.461167D+01 -0.280970D+01 -0.594775D+01
                16            17            18            19            20 
      1  -0.260122D+01  0.768104D+01  0.181330D+02  0.953781D+01  0.271423D+01
      2  -0.184715D+01 -0.580877D+01 -0.219302D+02 -0.609693D+01 -0.536818D+01
      3   0.444837D+01 -0.187227D+01  0.379718D+01 -0.344087D+01  0.265395D+01
      4   0.109310D+02 -0.155256D+01 -0.464360D+01  0.742801D+01 -0.250924D+02
      5   0.397136D+02 -0.709761D+01  0.766560D+01 -0.193183D+01  0.270804D+01
      6  -0.274837D+01  0.617553D+01  0.312306D+01 -0.119814D+00 -0.178156D+01
                21            22            23            24            25 
      1   0.837381D+00  0.536099D+01  0.500479D+01 -0.402127D+01 -0.864017D+00
      2  -0.258249D+01  0.187823D+01 -0.113677D+02  0.569684D+01 -0.702204D-01
      3   0.174510D+01 -0.723922D+01  0.636288D+01 -0.167557D+01  0.934237D+00
      4   0.275685D+01  0.187554D+02  0.115808D+02  0.435663D+00 -0.351965D+01
      5  -0.665067D+01 -0.324650D+01  0.807942D+00  0.477933D+01  0.151131D+01
      6  -0.808694D+01 -0.171172D+01  0.837946D+01  0.777129D+01 -0.346004D+00
                26            27            28            29            30 
      1  -0.197277D+01 -0.151527D+02 -0.358326D+02  0.103528D+02 -0.440310D+00
      2   0.662719D+01  0.233577D+01  0.169414D+02 -0.258863D+01  0.244682D+00
      3  -0.465442D+01  0.128169D+02  0.188912D+02 -0.776417D+01  0.195628D+00
      4  -0.117140D+01  0.106082D+02 -0.106915D+02  0.762264D+01 -0.333759D+01
      5   0.106797D+02 -0.643765D+01  0.691000D+01 -0.245841D+01 -0.122013D+01
      6   0.150885D+02 -0.438281D+01 -0.258202D+01  0.357475D+00 -0.215510D+01
                31            32            33            34            35 
      1   0.151998D+02  0.368122D+01 -0.196861D+01 -0.705857D+01 -0.179801D+01
      2  -0.717948D+01  0.187511D+01  0.772164D+00  0.392187D+01  0.401298D+01
      3  -0.802034D+01 -0.555633D+01  0.119644D+01  0.313670D+01 -0.221497D+01
      4  -0.379324D+01  0.272796D+01 -0.191345D+01  0.170024D+01 -0.424979D+01
      5  -0.196167D+00 -0.453618D+00 -0.599215D+00  0.155197D+01  0.884251D+00
      6  -0.383886D+00 -0.724086D-01  0.391757D+00 -0.203041D+01  0.479345D+01
                36            37            38            39            40 
      1  -0.101286D+02 -0.110346D+02 -0.269343D+02  0.399967D+01 -0.198037D+02
      2  -0.186156D+01  0.118486D+02  0.181053D+02 -0.330726D+01  0.808945D+01
      3   0.119901D+02 -0.814006D+00  0.882905D+01 -0.692405D+00  0.117143D+02
      4  -0.166389D+01 -0.680587D+01 -0.164200D+01 -0.122299D+00 -0.107482D+01
      5  -0.740788D+00 -0.181359D+01 -0.217451D+01 -0.151034D+01 -0.182503D+00
      6  -0.100607D+01 -0.312447D+01 -0.212915D+01  0.222257D+01  0.698555D+00
                41            42            43            44            45 
      1  -0.155892D+02 -0.696782D+00  0.245469D+01 -0.295783D+01 -0.146779D+02
      2   0.160118D+02 -0.164050D+01 -0.394267D+01  0.284846D+01  0.348702D+01
      3  -0.422615D+00  0.233728D+01  0.148798D+01  0.109376D+00  0.111909D+02
      4  -0.734842D+01 -0.187223D+00  0.189686D+01 -0.346670D+01 -0.654572D+00
      5  -0.135872D+01 -0.639068D+00  0.106141D+01 -0.278496D+01 -0.760371D+00
      6  -0.107285D+01  0.797869D+00  0.296805D+01  0.116878D+02 -0.822325D+00
                46            47            48            49            50 
      1   0.960663D+01  0.202055D+02  0.282027D+00 -0.237509D+02  0.150517D+02
      2  -0.991151D+01 -0.139271D+02  0.167799D+01  0.207698D+02 -0.238081D+02
      3   0.304884D+00 -0.627839D+01 -0.196001D+01  0.298113D+01  0.875642D+01
      4   0.891634D+01 -0.165875D+02  0.351475D+01  0.123410D+02  0.120023D+01
      5   0.196734D+00  0.519237D+01 -0.440852D+01 -0.546584D+00 -0.363190D+01
      6   0.417306D+01 -0.165011D+01  0.223712D+01 -0.357413D+01  0.803520D+01
                51            52            53            54            55 
      1  -0.225890D+01  0.444915D+01  0.146626D+01 -0.560268D+01  0.238976D+02
      2   0.530536D+01 -0.624148D+01  0.352198D+01 -0.441811D+01 -0.777539D+01
      3  -0.304645D+01  0.179233D+01 -0.498824D+01  0.100208D+02 -0.161222D+02
      4  -0.421721D+01  0.191622D+01 -0.719185D+01 -0.162257D+02 -0.293705D+01
      5  -0.122372D+02  0.105474D+02 -0.165167D+02  0.578272D+01 -0.351154D+01
      6   0.837362D+01 -0.544042D+01  0.140107D+02 -0.108037D+01  0.359870D+01
                56            57            58            59            60 
      1  -0.152713D+02  0.261824D+00 -0.205555D+02 -0.291832D+00  0.422509D+01
      2   0.136316D+02  0.584474D+00  0.191643D+02 -0.313711D+01 -0.832523D+01
      3   0.163970D+01 -0.846298D+00  0.139126D+01  0.342894D+01  0.410014D+01
      4  -0.103656D+02  0.259275D+01 -0.164332D+02  0.127223D+02  0.828790D+01
      5   0.282636D+01 -0.931180D+01  0.329909D+01  0.890518D+01  0.298692D+01
      6   0.274668D+01  0.523317D+01  0.433188D+01 -0.912803D+01 -0.563928D+01
                61            62            63            64            65 
      1   0.144503D+02  0.679520D+00  0.666271D+01 -0.529239D+02  0.105824D+02
      2   0.733041D+01 -0.142295D+02  0.596902D+01  0.294209D+02 -0.835419D+01
      3  -0.217807D+02  0.135500D+02 -0.126317D+02  0.235030D+02 -0.222818D+01
      4   0.320992D+00  0.107069D+02  0.919546D+01  0.107171D+02  0.718926D+01
      5  -0.137069D+02  0.743662D+01 -0.314729D+02 -0.146617D+02  0.716484D+00
      6   0.101934D+02 -0.456618D+01  0.173946D+02 -0.504897D+00 -0.206958D+01
                66            67            68            69            70 
      1  -0.971038D+01  0.223907D+02  0.128755D+02 -0.107922D+01 -0.157256D+02
      2   0.541898D+01 -0.160237D+02 -0.148175D+02  0.440491D+01  0.184464D+01
      3   0.429141D+01 -0.636702D+01  0.194194D+01 -0.332569D+01  0.138810D+02
      4   0.537236D+00 -0.666501D+00 -0.260814D+01 -0.751931D+01 -0.280118D+01
      5  -0.117839D+01 -0.565236D+01 -0.787179D+01  0.632136D+01 -0.127153D+02
      6   0.589805D+00 -0.334332D+01 -0.193345D+01 -0.535939D+01 -0.286705D+01
                71            72            73            74            75 
      1   0.514860D+00 -0.395766D+00  0.261067D+02  0.915879D+01 -0.996379D+00
      2   0.122766D+01  0.155225D+02 -0.142753D+02 -0.484033D+01 -0.144407D+01
      3  -0.174252D+01 -0.151268D+02 -0.118314D+02 -0.431846D+01  0.244045D+01
      4  -0.274610D+01 -0.423534D+01  0.146611D+02  0.146834D+02  0.703965D+01
      5  -0.231576D+01  0.395665D+02  0.807166D+01  0.425983D+01  0.109729D+02
      6  -0.330759D+00  0.318850D+01  0.581104D+01  0.692471D+01 -0.552888D+01
                76            77            78            79            80 
      1  -0.899472D+01 -0.117133D+02 -0.142723D+01  0.110204D+02  0.498430D-01
      2   0.951676D+01  0.209585D+02  0.953693D-01 -0.694177D+01  0.172068D+01
      3  -0.522036D+00 -0.924519D+01  0.133186D+01 -0.407862D+01 -0.177052D+01
      4   0.145660D+02  0.185288D+02  0.703843D+01  0.719027D+01  0.769736D+01
      5   0.519270D+01  0.591828D+01 -0.464021D+01  0.121041D+02  0.740407D+01
      6   0.887323D+00  0.621285D+01  0.111710D+02  0.696666D+01  0.134583D+02
                81            82            83            84            85 
      1  -0.852877D+01 -0.119183D+02 -0.750557D+01 -0.331779D+01  0.143763D+02
      2  -0.429621D+01  0.786770D+01  0.144698D+02  0.653832D+01 -0.100775D+02
      3   0.128250D+02  0.405062D+01 -0.696421D+01 -0.322053D+01 -0.429878D+01
      4   0.993390D+01 -0.122932D+01 -0.798426D+01 -0.385152D+01  0.770524D+00
      5   0.120304D+01 -0.915315D-01 -0.125277D+01 -0.874610D+01  0.317023D+01
      6   0.277266D+01 -0.179813D+01  0.557961D+01  0.380511D+01  0.803352D+01
                86            87            88            89            90 
      1   0.419636D+02  0.164328D+01 -0.195367D+02 -0.877984D+01  0.317700D+02
      2  -0.463459D+02 -0.970768D+01  0.138667D+02 -0.633448D+01 -0.206849D+02
      3   0.438230D+01  0.806439D+01  0.567001D+01  0.151143D+02 -0.110850D+02
      4   0.260367D+01  0.448428D+01  0.430503D+01  0.608377D+01 -0.985073D+01
      5   0.399185D+01 -0.287623D+01 -0.697542D+01 -0.109281D+02  0.995982D+01
      6  -0.727095D+01 -0.170706D+02 -0.137812D+02 -0.400402D+02  0.310548D+02
                91            92            93            94            95 
      1   0.407456D+02  0.224119D+02 -0.192994D+01  0.176671D+02  0.123154D+02
      2  -0.138202D+02 -0.453564D+01  0.829866D+00  0.175772D+01  0.788590D+01
      3  -0.269254D+02 -0.178762D+02  0.110007D+01 -0.194248D+02 -0.202014D+02
      4   0.453437D+02  0.345095D+02 -0.221748D+01  0.408138D+02  0.429848D+02
      5  -0.350698D+01 -0.201024D+01  0.646672D+01 -0.418877D+01 -0.399689D+01
      6  -0.443643D+00 -0.416085D+00  0.290570D+01 -0.200451D+01 -0.195963D+01
                96            97            98            99           100 
      1  -0.144177D+01 -0.842237D-02 -0.558450D+00  0.157340D+00  0.103539D+03
      2   0.404454D+00 -0.110487D+01 -0.781189D+00  0.833409D+00 -0.585227D+02
      3   0.103731D+01  0.111329D+01  0.133964D+01 -0.990750D+00 -0.450162D+02
      4  -0.399757D+01 -0.316682D+01 -0.414006D+01  0.197694D+01 -0.271284D+02
      5   0.464322D+01  0.126890D+01  0.537656D+00 -0.495441D+00  0.110335D+02
      6   0.449935D+01  0.700834D+00  0.131264D+01 -0.976221D+00  0.167749D+00
               101           102           103           104           105 
      1  -0.187051D+02  0.719529D+01 -0.177142D+02  0.129731D+02 -0.233764D+01
      2   0.961315D+01 -0.477629D+01  0.805007D+01 -0.581267D+01  0.171828D+01
      3   0.909198D+01 -0.241900D+01  0.966414D+01 -0.716045D+01  0.619352D+00
      4   0.133331D+02 -0.191376D+01  0.213118D+02 -0.975279D+01  0.192302D+01
      5  -0.210246D+01  0.986731D+01 -0.421966D+01  0.217885D+01 -0.239188D+01
      6   0.306213D+00 -0.118194D+01  0.113408D+01 -0.419154D+00  0.215124D+01
               106           107           108           109           110 
      1   0.866049D+01 -0.324141D+01  0.230686D+01 -0.425823D+01  0.466432D+01
      2  -0.476043D+01  0.202457D+01 -0.110255D+01  0.579670D+01 -0.438666D+01
      3  -0.390006D+01  0.121684D+01 -0.120430D+01 -0.153847D+01 -0.277661D+00
      4  -0.428218D+01  0.203927D+01 -0.140442D+01 -0.161569D+01  0.711798D+01
      5   0.219474D+01 -0.445606D+00  0.126818D+01 -0.660171D+00 -0.132380D+00
      6  -0.323872D+00  0.790459D+00 -0.599620D+00 -0.919652D+00  0.128209D+01
               111           112           113           114           115 
      1  -0.122777D+01  0.498250D+01 -0.349382D+02  0.598804D+01 -0.698820D+00
      2   0.655696D+00 -0.527222D+01  0.480612D+02 -0.595284D+01  0.548977D+00
      3   0.572072D+00  0.289722D+00 -0.131230D+02 -0.351958D-01  0.149843D+00
      4  -0.412908D+00  0.521375D+01  0.135410D+02 -0.271077D+01 -0.461991D+00
      5   0.121485D+01 -0.109685D+00 -0.349650D+01  0.148227D+01  0.620339D+00
      6  -0.425008D+00  0.447623D+00 -0.103793D+02  0.760007D+01 -0.110629D+00
               116           117           118           119           120 
      1   0.560576D+01 -0.228170D+01  0.300097D+01 -0.355086D+01  0.362751D+00
      2  -0.700146D+01  0.264667D+01  0.310518D+01 -0.368850D+01  0.982242D-01
      3   0.139570D+01 -0.364970D+00 -0.610615D+01  0.723936D+01 -0.460975D+00
      4  -0.165289D+01 -0.661600D+00 -0.137420D+02  0.188786D+02 -0.265678D+01
      5  -0.381217D-01  0.605944D+00  0.215790D+01 -0.281646D+01  0.317794D+01
      6   0.389098D+01 -0.214053D+01 -0.157145D+01  0.202915D+01 -0.201822D+01
               121           122           123           124           125 
      1   0.917555D+00 -0.203988D+02  0.277811D+01 -0.356402D-01  0.221323D+01
      2  -0.934290D+01  0.413408D+02 -0.378303D+01  0.145241D+01 -0.418386D+01
      3   0.842534D+01 -0.209421D+02  0.100492D+01 -0.141677D+01  0.197063D+01
      4   0.210745D+02 -0.467489D+02  0.608585D+01 -0.399157D+01  0.684218D+01
      5  -0.297851D+01  0.619041D+01 -0.437011D+01  0.134697D+01 -0.144227D+01
      6   0.308644D+01 -0.880962D+01  0.763298D+01 -0.158855D+01  0.395001D+01
               126           127           128           129           130 
      1  -0.204023D+01  0.324966D+01  0.124473D+01  0.257627D+01  0.325508D+01
      2   0.288005D+01 -0.697802D+01 -0.142959D+01 -0.414143D+01 -0.378883D+01
      3  -0.839818D+00  0.372836D+01  0.184866D+00  0.156517D+01  0.533744D+00
      4  -0.175000D+01 -0.316248D+01  0.666609D+01 -0.367636D+01  0.911235D+01
      5   0.827535D+00  0.963291D+01 -0.254847D+01  0.143639D+02 -0.211204D+01
      6  -0.236750D+01 -0.460362D+01  0.871392D+00 -0.340164D+01  0.199042D+01
               131           132           133           134           135 
      1  -0.479795D+01  0.140132D+01 -0.271917D+01  0.467287D+01 -0.157994D+02
      2   0.239678D+01 -0.959956D+00 -0.830958D+01 -0.280897D-01 -0.174191D+02
      3   0.240117D+01 -0.441367D+00  0.110287D+02 -0.464478D+01  0.332185D+02
      4  -0.718861D+01  0.368784D+01 -0.804389D+01  0.656532D+01 -0.691363D+01
      5   0.339947D+01 -0.315106D+01  0.195750D+02 -0.676470D+01  0.326769D+02
      6  -0.211035D+01  0.934349D+01 -0.886923D+01  0.765233D+01 -0.198022D+02
               136           137           138           139           140 
      1  -0.345335D+02  0.299125D+02 -0.112233D+01  0.258306D+02  0.763382D+01
      2   0.690390D+01 -0.275472D+02  0.557082D+01 -0.266819D+02 -0.119237D+02
      3   0.276296D+02 -0.236533D+01 -0.444850D+01  0.851294D+00  0.428984D+01
      4   0.431429D+02 -0.842951D+01  0.235326D+01  0.489933D+01 -0.141577D+02
      5  -0.367729D+00 -0.205405D+01  0.684040D+01 -0.121311D+01 -0.119350D+02
      6   0.521002D+01 -0.852699D+00 -0.826847D+01 -0.272435D+01  0.193469D+02
               141           142           143           144           145 
      1  -0.111228D+02 -0.343065D+01 -0.970554D+01  0.143561D+02  0.831539D+02
      2   0.173081D+02 -0.161983D+00  0.213579D+02  0.353242D+01 -0.476637D+02
      3  -0.618524D+01  0.359263D+01 -0.116523D+02 -0.178885D+02 -0.354902D+02
      4  -0.797911D+01  0.759912D+01 -0.126552D+02 -0.806635D+01  0.796217D-03
      5  -0.412869D+00  0.682736D+01 -0.107064D+01  0.172998D+02  0.113420D+02
      6   0.382133D+01 -0.801298D+01  0.134106D+01 -0.244144D+02  0.914406D+00
               146           147           148           149           150 
      1  -0.463492D+01  0.965861D+01 -0.109791D+02  0.695628D+01 -0.528514D+00
      2   0.320882D+01 -0.554799D+01  0.649887D+01 -0.225983D+01  0.932935D+00
      3   0.142610D+01 -0.411063D+01  0.448023D+01 -0.469645D+01 -0.404421D+00
      4   0.924124D+01  0.442430D-01  0.124909D+02 -0.255651D+01  0.249037D+01
      5  -0.348457D+00  0.102600D+02 -0.106114D+01  0.283528D+01 -0.623486D+00
      6   0.467184D+00  0.343365D+00  0.598420D+00  0.240398D+00  0.160936D+01
               151           152           153           154           155 
      1   0.166853D+02 -0.105937D+01  0.878812D+01  0.810883D+01 -0.272408D+00
      2  -0.107853D+02  0.951325D+00 -0.782125D+01 -0.677178D+01  0.125797D+00
      3  -0.589995D+01  0.108048D+00 -0.966865D+00 -0.133705D+01  0.146611D+00
      4  -0.625353D+00  0.392170D+01  0.137851D+00  0.769616D+00 -0.868825D+00
      5   0.148964D+02 -0.487091D+00  0.440758D+01 -0.606146D+01 -0.146272D+00
      6   0.481984D+00  0.950039D+00 -0.104826D+00 -0.916206D+00  0.241283D-01
               156           157           158           159           160 
      1  -0.513036D+01 -0.964375D-01 -0.332334D+01  0.183776D+01 -0.815578D+01
      2   0.309820D+01  0.446157D+00  0.488464D+00 -0.657615D+00  0.120566D+02
      3   0.203216D+01 -0.349719D+00  0.283487D+01 -0.118014D+01 -0.390077D+01
      4  -0.103939D+01  0.318846D+01  0.122256D+01 -0.507814D+01 -0.138310D+01
      5   0.395929D+01  0.575008D-02 -0.487049D+01  0.143897D+01  0.192812D+02
      6   0.137748D+00 -0.174177D+01 -0.154758D+01  0.804105D+01  0.239194D+01
               161           162           163           164           165 
      1   0.675096D+00 -0.414166D+01 -0.112299D+01  0.996580D+01  0.381181D+01
      2  -0.103980D+01 -0.214273D+02  0.373360D+01 -0.143262D+02 -0.366639D+01
      3   0.364703D+00  0.255689D+02 -0.261061D+01  0.436045D+01 -0.145414D+00
      4  -0.783089D+01  0.300394D+01 -0.246709D+01  0.948231D+01  0.329159D+01
      5   0.120146D+01 -0.400004D+02 -0.215516D+00  0.131377D+01  0.272797D+01
      6   0.407136D+01 -0.611606D+01  0.413066D+01 -0.470959D+01 -0.181789D+01
               166           167           168           169           170 
      1  -0.123521D+01 -0.421994D+02 -0.104357D+02  0.234950D+01 -0.174743D+02
      2   0.137555D+01  0.615524D+02  0.154747D+02 -0.773049D+00  0.239314D+02
      3  -0.140332D+00 -0.193530D+02 -0.503903D+01 -0.157645D+01 -0.645716D+01
      4   0.623547D+01  0.221991D+01 -0.194418D+00  0.365663D+01  0.357319D+00
      5   0.660875D+00  0.126105D+01  0.154529D+01  0.254795D+01  0.252279D+01
      6  -0.156619D+00  0.193398D+02  0.127844D+02  0.231169D+01  0.210556D+02
               171           172           173           174           175 
      1  -0.136062D+02 -0.206979D+00 -0.748781D-01  0.707216D+00 -0.379678D+01
      2   0.131413D+02 -0.152492D+01 -0.560167D+00  0.509323D+00  0.448714D+01
      3   0.464829D+00  0.173190D+01  0.635045D+00 -0.121654D+01 -0.690363D+00
      4   0.927150D+00  0.558129D+01  0.768875D+01 -0.603821D+01  0.435555D+01
      5  -0.166475D+00 -0.453103D+01 -0.412840D+01  0.913468D+01 -0.215595D+01
      6   0.976085D+01 -0.746020D+01 -0.403551D+01  0.514610D+01 -0.422661D+01
               176           177           178           179           180 
      1  -0.211239D+02  0.982514D+01  0.608242D+01  0.247236D+02 -0.298736D+02
      2   0.223877D+02 -0.909970D+01 -0.350766D+01 -0.160425D+02  0.987125D+01
      3  -0.126375D+01 -0.725434D+00 -0.257475D+01 -0.868109D+01  0.200023D+02
      4   0.673880D+01 -0.455503D+01 -0.100750D+02 -0.888334D+01  0.866889D+01
      5  -0.460194D+01  0.358164D+01  0.841570D+01  0.102244D+02 -0.127311D+02
      6  -0.156456D+02  0.154388D+02  0.103921D+02  0.337663D+02 -0.405676D+02
               181           182           183           184           185 
      1   0.106825D+01 -0.511348D+01 -0.550038D+01 -0.168708D+01 -0.434432D+01
      2  -0.172786D+01  0.515361D+01  0.333614D+00  0.130502D+01  0.320496D+01
      3   0.659612D+00 -0.401339D-01  0.516676D+01  0.382064D+00  0.113936D+01
      4  -0.191443D+01  0.661012D+00  0.307517D+01  0.709688D-01  0.128267D+01
      5  -0.134896D+01  0.484348D+00  0.538304D+00 -0.427255D+00 -0.726063D+00
      6   0.279285D+01  0.206060D+01  0.588927D+01  0.277513D+00  0.208574D+01
               186           187           188           189           190 
      1  -0.148875D+01 -0.385966D+01 -0.675747D+01 -0.201378D+02  0.534790D+02
      2   0.297580D+01  0.795682D+00  0.582451D+01 -0.798720D+01 -0.166408D+02
      3  -0.148705D+01  0.306398D+01  0.932964D+00  0.281250D+02 -0.368382D+02
      4  -0.115085D+01  0.716232D+01 -0.622083D+01  0.170808D+00 -0.584807D+02
      5   0.839306D+00  0.520198D+01 -0.469001D+01 -0.219341D+02 -0.527652D+01
      6   0.455785D+01 -0.514934D+00  0.111704D+02  0.338930D+02  0.581934D+00
               191           192           193           194           195 
      1  -0.130741D+02  0.171462D+01 -0.561612D+01  0.306600D+01  0.782071D+00
      2  -0.313885D+01 -0.605965D+00 -0.339148D+01  0.588070D+01 -0.165278D+01
      3   0.162129D+02 -0.110866D+01  0.900760D+01 -0.894670D+01  0.870704D+00
      4   0.316919D+02 -0.267872D-01  0.181969D+02 -0.131264D+02  0.945815D+00
      5   0.236664D+01  0.899645D+01  0.918479D+00  0.556175D+00 -0.156870D+01
      6  -0.213321D+01 -0.641141D+01 -0.843878D+00 -0.794041D+00  0.203285D+01
               196           197           198           199           200 
      1   0.345632D+01  0.103197D+01  0.317481D+01 -0.213856D+01 -0.151105D+02
      2  -0.117506D+01 -0.336582D+01 -0.244173D+01  0.659175D+01  0.206389D+02
      3  -0.228126D+01  0.233385D+01 -0.733083D+00 -0.445319D+01 -0.552848D+01
      4  -0.470524D+01  0.362844D+01 -0.533522D+01  0.913239D+00  0.152657D+01
      5   0.951419D+01 -0.389385D+01 -0.890862D-01  0.144320D+01  0.134457D+01
      6  -0.552639D+01  0.371497D+01  0.101732D+01 -0.300116D+01 -0.140718D+01
               201           202           203           204           205 
      1   0.213643D+01 -0.941059D+01 -0.331848D+02  0.696064D+01  0.365660D+01
      2  -0.373659D+01  0.106220D+02  0.539406D+02 -0.108982D+02 -0.249495D+01
      3   0.160015D+01 -0.121142D+01 -0.207557D+02  0.393761D+01 -0.116165D+01
      4  -0.175349D+01  0.669567D+01 -0.114380D+02  0.172248D+01 -0.435107D+01
      5  -0.164682D+01  0.207937D+01  0.526406D+01 -0.333608D+01 -0.319514D+00
      6   0.486357D+01 -0.161004D+01 -0.761403D+01  0.876603D+01  0.278167D+01
               206           207 
      1   0.976370D+01 -0.848182D+01
      2  -0.157084D+02  0.741247D+01
      3   0.594468D+01  0.106935D+01
      4   0.598401D+01 -0.110553D+00
      5  -0.312192D+01  0.989978D+00
      6   0.961559D+01 -0.428710D+01
 Leave Link  716 at Thu Jul  8 18:51:09 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153937D+03 -0.278520D+01  0.792208D+00
      2  -0.278520D+01  0.136371D+03 -0.485276D+01
      3   0.792208D+00 -0.485276D+01  0.858122D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.487463D+01 -0.272469D-01 -0.120416D+02
      2   0.600815D+01 -0.128260D+02 -0.195870D+01
      3   0.747632D+01 -0.483802D+02  0.974476D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.136811D+03  0.868316D+01 -0.712910D+01
      2  -0.739199D+02  0.185358D+02 -0.138384D+02
      3  -0.628913D+02 -0.272189D+02  0.209675D+02
      4   0.591098D+02  0.631776D+02 -0.187499D+02
      5   0.169502D+02 -0.192276D+02 -0.110472D+02
      6  -0.497879D+01  0.135241D+02  0.193406D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.843210D+00  0.196665D+01 -0.782442D+00  0.603529D+01 -0.792443D+00
      2   0.196665D+01  0.228610D+01 -0.216094D+00 -0.792443D+00  0.248181D+01
      3  -0.782442D+00 -0.216094D+00  0.218764D+01  0.102651D+01  0.444044D+00
                 6             7             8             9            10 
      1   0.102651D+01 -0.139775D+01  0.644299D+00  0.416458D+01  0.584287D+01
      2   0.444044D+00  0.644299D+00  0.820745D+00  0.341923D+01 -0.114516D+01
      3   0.255679D+01  0.416458D+01  0.341923D+01 -0.884617D+00 -0.288376D+00
                11            12            13            14            15 
      1  -0.114516D+01 -0.288376D+00 -0.238563D+01 -0.232146D+01  0.959621D+00
      2   0.298266D+01  0.938695D-01 -0.232146D+01 -0.275068D+01  0.927054D-01
      3   0.938695D-01  0.306067D+01  0.959621D+00  0.927054D-01 -0.108117D+01
                16            17            18            19            20 
      1   0.804534D-01  0.105071D+01  0.557085D+01  0.152562D+01 -0.547575D+01
      2   0.105071D+01  0.363554D+00 -0.132361D+01 -0.547575D+01 -0.125680D+01
      3   0.557085D+01 -0.132361D+01  0.120171D+01  0.799726D+00 -0.171802D+00
                21            22            23            24            25 
      1   0.799726D+00  0.542288D+01 -0.127023D+01  0.123248D+00  0.408459D-01
      2  -0.171802D+00 -0.127023D+01  0.259233D+01  0.606674D+00 -0.270621D+00
      3  -0.109900D+01  0.123248D+00  0.606674D+00  0.204496D+01 -0.102121D+00
                26            27            28            29            30 
      1  -0.270621D+00 -0.102121D+00 -0.149317D+02  0.527788D+01 -0.170057D+01
      2   0.393975D+00  0.382602D+01  0.527788D+01 -0.523559D+01  0.783038D+00
      3   0.382602D+01 -0.185938D+01 -0.170057D+01  0.783038D+00 -0.190858D+01
                31            32            33            34            35 
      1   0.867178D+01  0.250429D+01 -0.238308D+00 -0.118354D+01 -0.656165D+00
      2   0.250429D+01  0.245290D+01  0.143152D+00 -0.656165D+00 -0.964087D-01
      3  -0.238308D+00  0.143152D+00  0.300521D-01 -0.295739D+01  0.129587D+01
                36            37            38            39            40 
      1  -0.295739D+01 -0.179822D+00 -0.455986D+01  0.606835D+00 -0.138849D+02
      2   0.129587D+01 -0.455986D+01 -0.714722D+01  0.108259D+01 -0.322012D+01
      3  -0.139797D+01  0.606835D+00  0.108259D+01 -0.154805D+01  0.236584D+00
                41            42            43            44            45 
      1  -0.322012D+01  0.236584D+00  0.224199D+01 -0.822702D-01 -0.198379D+01
      2  -0.714552D+01  0.136102D+00 -0.822702D-01 -0.207653D+00 -0.302285D+01
      3   0.136102D+00 -0.792166D+00 -0.198379D+01 -0.302285D+01  0.738888D+00
                46            47            48            49            50 
      1  -0.362193D+01  0.418973D+01 -0.625462D+00 -0.485960D+01  0.865392D+00
      2   0.418973D+01  0.313421D+01 -0.128429D+00  0.865392D+00 -0.783259D+00
      3  -0.625462D+00 -0.128429D+00 -0.290832D+00  0.542073D-01 -0.666622D+00
                51            52            53            54            55 
      1   0.542073D-01 -0.823621D-01  0.833077D+00  0.169671D+01  0.368983D+01
      2  -0.666622D+00  0.833077D+00 -0.304235D+00 -0.375083D+01 -0.998636D+00
      3  -0.254903D+01  0.169671D+01 -0.375083D+01  0.140993D+01  0.977893D+00
                56            57            58            59            60 
      1  -0.998636D+00  0.977893D+00 -0.130943D+01  0.463743D+01 -0.586099D+00
      2   0.354776D+01 -0.344989D+00  0.463743D+01 -0.217629D+01 -0.194884D+01
      3  -0.344989D+00  0.216441D+01 -0.586099D+00 -0.194884D+01 -0.942474D+00
                61            62            63            64            65 
      1   0.325469D+01 -0.734514D+00  0.329067D+01  0.727877D+01 -0.185984D+01
      2  -0.734514D+00 -0.224620D+01 -0.136774D+01 -0.185984D+01 -0.264362D+01
      3   0.329067D+01 -0.136774D+01  0.856654D+01  0.182102D+01  0.217553D-03
                66            67            68            69            70 
      1   0.182102D+01 -0.477929D+01 -0.143818D+01  0.761141D+00  0.211399D+01
      2   0.217553D-03 -0.143818D+01  0.142340D+01  0.129595D+01  0.100968D+00
      3  -0.371309D+00  0.761141D+00  0.129595D+01 -0.749599D+00  0.215362D+01
                71            72            73            74            75 
      1   0.100968D+00  0.215362D+01 -0.526557D+01 -0.145289D+01 -0.152138D+01
      2   0.181673D+01  0.496410D+00 -0.145289D+01  0.903160D+00 -0.126204D+01
      3   0.496410D+00 -0.827823D+01 -0.152138D+01 -0.126204D+01  0.335027D+00
                76            77            78            79            80 
      1   0.994587D+00 -0.139783D+01 -0.698408D+00 -0.159603D+01  0.359010D+00
      2  -0.139783D+01 -0.509848D+01 -0.136624D+01  0.359010D+00 -0.115870D+01
      3  -0.698408D+00 -0.136624D+01  0.311111D+00 -0.185866D+01 -0.218678D+01
                81            82            83            84            85 
      1  -0.185866D+01  0.333429D+01  0.966769D+00  0.953390D-01  0.157272D+01
      2  -0.218678D+01  0.966769D+00 -0.109505D+01 -0.569285D+00  0.328909D+01
      3   0.220475D+00  0.953390D-01 -0.569285D+00 -0.530188D-01 -0.147023D+01
                86            87            88            89            90 
      1   0.328909D+01 -0.147023D+01 -0.131547D+01 -0.333538D+01  0.239105D+01
      2   0.920769D+01  0.186634D+00 -0.333538D+01 -0.162511D+01  0.644950D+01
      3   0.186634D+00  0.234056D+01  0.239105D+01  0.644950D+01 -0.572924D+01
                91            92            93            94            95 
      1   0.715116D+01  0.455371D+01 -0.342411D+00  0.455020D+01  0.460652D+01
      2   0.455371D+01  0.342472D+01 -0.197879D+00  0.460652D+01  0.530736D+01
      3  -0.342411D+00 -0.197879D+00  0.544511D+00 -0.535725D+00 -0.524581D+00
                96            97            98            99           100 
      1  -0.535725D+00 -0.213696D+00 -0.372465D+00 -0.674764D-01  0.132696D+02
      2  -0.524581D+00 -0.372465D+00 -0.596609D+00 -0.934701D-02 -0.255025D+01
      3   0.558180D+00 -0.674764D-01 -0.934701D-02 -0.309500D-01  0.106033D+01
               101           102           103           104           105 
      1  -0.255025D+01  0.106033D+01 -0.265901D+01  0.218798D+01 -0.457551D+00
      2   0.115371D+01 -0.194013D+00  0.218798D+01 -0.109313D+01  0.242863D+00
      3  -0.194013D+00  0.795979D+00 -0.457551D+00  0.242863D+00 -0.262409D+00
               106           107           108           109           110 
      1   0.111651D+01 -0.527376D+00 -0.203999D-01 -0.101189D+01  0.152708D+01
      2  -0.527376D+00  0.119486D+00 -0.277353D-01  0.152708D+01 -0.972474D+00
      3  -0.203999D-01 -0.277353D-01  0.586527D-01 -0.116023D+00  0.159828D+00
               111           112           113           114           115 
      1  -0.116023D+00  0.130015D+01 -0.110258D+01  0.959650D-01 -0.292424D+00
      2   0.159828D+00 -0.110258D+01  0.898046D+01 -0.141853D+01  0.267807D+00
      3  -0.290786D-01  0.959650D-01 -0.141853D+01  0.872249D+00  0.449697D-01
               116           117           118           119           120 
      1   0.267807D+00  0.449697D-01  0.147604D+01 -0.200413D+01  0.293273D+00
      2  -0.152138D+01  0.266769D+00 -0.200413D+01  0.228000D+01 -0.362862D+00
      3   0.266769D+00 -0.255715D+00  0.293273D+00 -0.362862D+00  0.353504D+00
               121           122           123           124           125 
      1  -0.195640D+01  0.306975D+01 -0.440045D+00  0.510904D+00 -0.489102D+00
      2   0.306975D+01 -0.100134D+02  0.130597D+01 -0.489102D+00  0.140052D+01
      3  -0.440045D+00  0.130597D+01 -0.869012D+00  0.156931D+00 -0.311912D+00
               126           127           128           129           130 
      1   0.156931D+00 -0.256882D+01  0.387636D+00 -0.193365D+01  0.939898D+00
      2  -0.311912D+00  0.387636D+00 -0.702983D+00  0.347403D+00 -0.185781D+01
      3   0.222966D+00 -0.193365D+01  0.347403D+00 -0.176697D+01  0.486633D+00
               131           132           133           134           135 
      1  -0.185781D+01  0.486633D+00 -0.537453D+01  0.153098D+01 -0.355907D+01
      2   0.153089D+01 -0.972423D+00  0.153098D+01 -0.165096D+01  0.152467D+01
      3  -0.972423D+00  0.860643D+00 -0.355907D+01  0.152467D+01 -0.895782D+01
               136           137           138           139           140 
      1   0.871115D+01 -0.357912D+01  0.106023D+01 -0.282467D+00 -0.379780D+01
      2  -0.357912D+01 -0.241521D+01 -0.870665D-02 -0.379780D+01  0.676322D+00
      3   0.106023D+01 -0.870665D-02 -0.182938D+01  0.556956D-01  0.299349D+01
               141           142           143           144           145 
      1   0.556956D-01  0.181779D+01 -0.972929D+00 -0.144023D+01 -0.124261D+02
      2   0.299349D+01 -0.972929D+00  0.410540D+01 -0.291111D+00  0.611763D+00
      3   0.361329D+00 -0.144023D+01 -0.291111D+00 -0.581572D+01 -0.145872D+01
               146           147           148           149           150 
      1   0.611763D+00 -0.145872D+01  0.186298D+01 -0.137306D+01  0.138273D+00
      2  -0.985308D+00  0.224895D-01 -0.137306D+01  0.395479D+00 -0.403908D+00
      3   0.224895D-01 -0.105785D+01  0.138273D+00 -0.403908D+00 -0.163035D-01
               151           152           153           154           155 
      1  -0.313653D+01  0.183574D+00 -0.182689D+01 -0.122739D+01  0.471682D-01
      2   0.183574D+00 -0.733174D+00  0.322376D-01  0.471682D-01  0.382211D+00
      3  -0.182689D+01  0.322376D-01 -0.356750D+00  0.106647D+01  0.149245D-01
               156           157           158           159           160 
      1   0.106647D+01  0.179056D+00 -0.307942D+00 -0.758593D-01  0.216808D+01
      2   0.149245D-01 -0.307942D+00 -0.197173D+00  0.107551D+01 -0.468847D-01
      3   0.270839D+00 -0.758593D-01  0.107551D+01 -0.368412D+00 -0.291166D+01
               161           162           163           164           165 
      1  -0.468847D-01 -0.291166D+01  0.814201D+00 -0.729631D+00 -0.616943D+00
      2   0.154001D+01 -0.195314D+00 -0.729631D+00  0.246866D+01  0.604841D+00
      3  -0.195314D+00  0.805514D+01 -0.616943D+00  0.604841D+00  0.239384D+00
               166           167           168           169           170 
      1  -0.159411D+01 -0.718699D+00  0.188900D+00 -0.886665D+00  0.207836D+00
      2  -0.718699D+00 -0.993566D+01 -0.241708D+01  0.207836D+00 -0.395475D+01
      3   0.188900D+00 -0.241708D+01 -0.163033D+01 -0.239172D+00 -0.291564D+01
               171           172           173           174           175 
      1  -0.239172D+00 -0.153102D+01 -0.114307D+01  0.145409D+01 -0.797823D+00
      2  -0.291564D+01 -0.114307D+01 -0.338533D+00  0.571361D+00 -0.146525D+01
      3  -0.136570D+01  0.145409D+01  0.571361D+00 -0.101976D+01  0.653886D+00
               176           177           178           179           180 
      1  -0.146525D+01  0.653886D+00  0.325428D+01  0.224188D+01 -0.171871D+01
      2  -0.467918D+01  0.235895D+01  0.224188D+01  0.520133D+01 -0.525994D+01
      3   0.235895D+01 -0.174684D+01 -0.171871D+01 -0.525994D+01  0.738280D+01
               181           182           183           184           185 
      1  -0.202546D+00  0.304852D+00  0.748404D+00 -0.378600D+00  0.411779D+00
      2   0.304852D+00  0.727346D+00  0.248151D+00  0.411779D+00  0.204855D+00
      3   0.748404D+00  0.248151D+00  0.127960D+01  0.763387D-01  0.484587D+00
               186           187           188           189           190 
      1   0.763387D-01  0.128227D+01 -0.445656D+00 -0.142767D+00 -0.116014D+02
      2   0.484587D+00 -0.445656D+00  0.171896D+01  0.150041D+01  0.454362D+01
      3  -0.192303D+00 -0.142767D+00  0.150041D+01  0.738657D+01  0.469127D-02
               191           192           193           194           195 
      1   0.454362D+01  0.469127D-02  0.190453D+01 -0.158805D+01  0.133416D-01
      2  -0.306067D+01 -0.242220D+00 -0.158805D+01  0.145473D+01 -0.295866D+00
      3  -0.242220D+00 -0.103598D+01  0.133416D-01 -0.295866D+00  0.144782D+00
               196           197           198           199           200 
      1  -0.129950D+01  0.465471D+00 -0.110439D+01  0.631441D+00  0.112149D+01
      2   0.465471D+00 -0.878574D+00  0.575924D+00  0.112149D+01  0.256293D+01
      3  -0.110439D+01  0.575924D+00  0.170956D+00 -0.602325D+00 -0.230396D+00
               201           202           203           204           205 
      1  -0.602325D+00  0.145317D+01  0.107923D+01 -0.368119D+00 -0.110329D+01
      2  -0.230396D+00  0.107923D+01  0.716452D+01 -0.135254D+01  0.477562D-01
      3   0.778243D+00 -0.368119D+00 -0.135254D+01  0.111938D+01  0.463349D+00
               206           207 
      1   0.477562D-01  0.463349D+00
      2  -0.250697D+01  0.127577D+01
      3   0.127577D+01 -0.482539D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.105844D+01 -0.131786D+00 -0.469488D+01 -0.171153D+01  0.796058D-01
      2  -0.122316D+01 -0.190666D+01  0.474267D+01  0.145036D+01  0.254474D+01
      3  -0.505912D+01 -0.141811D+02  0.120268D+01  0.737201D+01 -0.865920D+00
                 6             7             8             9            10 
      1  -0.612841D+00 -0.849557D+01  0.550260D+01 -0.126208D+01 -0.834192D-01
      2   0.824874D+01  0.537585D+00  0.122875D+02 -0.317812D+01  0.997325D+00
      3  -0.123437D+01 -0.231423D+01 -0.317417D+01 -0.490022D+01  0.385933D+01
                11            12            13            14            15 
      1  -0.863321D-01  0.193807D+01  0.567161D+00  0.277665D+01  0.271121D+01
      2  -0.187813D+00  0.957593D+01  0.325849D+01 -0.155602D+01 -0.392313D+01
      3  -0.114996D+02  0.361483D+00  0.125320D+02 -0.175964D-01  0.165397D+01
                16            17            18            19            20 
      1   0.425918D+01  0.114850D+02 -0.164721D+01 -0.241647D-01 -0.310472D-01
      2   0.984773D+01 -0.578790D+01  0.382385D+01  0.236979D+01 -0.215819D+01
      3  -0.321601D+01  0.736750D+00  0.208187D+01  0.739960D+01 -0.469328D+01
                21            22            23            24            25 
      1   0.409911D+01  0.962531D+00  0.138119D+00 -0.371135D+01  0.259399D+01
      2  -0.259498D+01 -0.164273D+01 -0.229344D+00  0.326663D+01 -0.149648D+02
      3   0.178305D+01  0.513064D+01 -0.874953D+01 -0.714520D+00  0.390021D+01
                26            27            28            29            30 
      1   0.827293D+00  0.141391D+01 -0.428858D+00 -0.188017D+00  0.148994D+01
      2   0.461178D+01 -0.277354D+01  0.129129D+01  0.174532D+01 -0.192165D+01
      3  -0.116262D+01 -0.716981D+01 -0.363937D+01  0.142883D+02 -0.220866D+01
                31            32            33            34            35 
      1  -0.182951D+01  0.186851D+01 -0.665205D+00  0.262080D+01  0.106040D+02
      2   0.788949D+00 -0.104091D+01  0.388158D+00 -0.147347D+02  0.125705D+01
      3   0.132861D+02 -0.119852D+02  0.276322D+01  0.638701D+00  0.255826D+01
                36            37            38            39            40 
      1  -0.540485D+00  0.152934D+01  0.148016D+00 -0.101934D+01 -0.180680D+00
      2  -0.110849D+01  0.938094D-02 -0.412556D+00 -0.125922D+01 -0.344778D+01
      3  -0.263534D+01 -0.689863D+01  0.547440D+01 -0.546849D+00  0.104370D+02
                41            42            43            44            45 
      1   0.226075D+01 -0.791933D+00 -0.336724D+01  0.744457D+01 -0.566181D+00
      2   0.214981D+01 -0.948910D+00 -0.153197D+02 -0.669357D-01  0.182943D+00
      3   0.219990D+02 -0.276702D+01 -0.157132D+01 -0.852518D+00  0.403576D+01
                46            47            48            49            50 
      1  -0.163848D+01  0.291805D+00 -0.169371D+01 -0.267518D+00 -0.357311D+00
      2  -0.295126D+00 -0.515603D+00 -0.136128D+01 -0.170115D+01 -0.157750D+01
      3  -0.771500D+00 -0.134408D+02  0.135924D+01 -0.640637D+00  0.516091D+01
                51            52            53            54            55 
      1  -0.364884D+01  0.247975D+01  0.146048D+01  0.174095D+00  0.110332D+01
      2  -0.619105D+01 -0.102156D+02 -0.991322D+01  0.293760D+01  0.454189D+00
      3   0.893858D+00  0.171199D+01  0.117047D+01  0.717581D+01  0.443799D+01
                56            57            58            59            60 
      1   0.470000D+00 -0.282108D+01 -0.213212D+01  0.465901D+01 -0.172967D+00
      2  -0.754370D+00 -0.115143D+00  0.322954D+00  0.463314D+01  0.595741D+00
      3  -0.137175D+01 -0.810843D+00  0.151198D+02  0.447373D+01 -0.588192D+01
                61            62            63            64            65 
      1  -0.455094D+01  0.796361D+01 -0.566040D+01 -0.545530D+00  0.325094D+00
      2  -0.873441D+01  0.110554D+01 -0.123750D+02 -0.972684D+01  0.123441D+01
      3   0.280787D+01 -0.791586D+01  0.131915D+01 -0.894173D+01 -0.103652D+02
                66            67            68            69            70 
      1  -0.817201D-01  0.137150D+01 -0.153201D+01  0.152201D+01  0.117179D+01
      2   0.974165D+00 -0.112569D+01 -0.303782D+01  0.227125D+01 -0.936180D+01
      3  -0.105544D+00 -0.100590D+02  0.626399D+01  0.482694D+01 -0.125032D+01
                71            72            73            74            75 
      1   0.164336D+01 -0.151834D+00 -0.253817D+01 -0.402830D+00  0.167878D+01
      2  -0.264355D+01  0.206142D+02 -0.185972D-01  0.517628D+00  0.659990D+01
      3   0.352039D+01  0.831814D+00  0.135295D+02 -0.364392D+01  0.216117D+01
                76            77            78            79            80 
      1   0.676759D+00 -0.417235D+00 -0.660206D+01 -0.455830D+01  0.212843D+01
      2   0.956889D+00  0.286528D+01 -0.230384D+01 -0.395507D+01  0.408644D+01
      3   0.819222D+01 -0.133080D+02 -0.493111D+01  0.535183D+01 -0.683595D+01
                81            82            83            84            85 
      1  -0.155191D+01  0.754831D+00 -0.565317D+01 -0.176796D+01 -0.341570D+01
      2   0.854763D+00  0.344929D+01 -0.955742D+00 -0.237588D+01  0.735767D+00
      3  -0.237084D+00 -0.917577D+01 -0.223236D+01 -0.834778D+00  0.740322D+01
                86            87            88            89            90 
      1   0.518220D+01  0.595918D+01  0.884037D+01  0.206908D+02 -0.135078D+02
      2  -0.149160D+01  0.117107D+01 -0.393791D+01 -0.237922D+01  0.556412D+00
      3  -0.307712D+01  0.585522D+01  0.137301D+01  0.118145D+02 -0.974553D+00
                91            92            93            94            95 
      1  -0.964628D-01 -0.302380D+00 -0.234585D+01  0.322591D+00  0.233327D-01
      2   0.369333D+00  0.286474D+00  0.355161D+01 -0.668437D+00 -0.736575D+00
      3  -0.245375D+01 -0.602232D+01  0.621540D-01 -0.510336D+01 -0.103866D+02
                96            97            98            99           100 
      1  -0.272552D+01  0.125752D+01  0.128215D+01  0.198404D+00  0.236621D+00
      2   0.312758D+01 -0.161080D+01 -0.122906D+01 -0.144678D+00  0.166065D+01
      3   0.678752D+00  0.120966D+01  0.172178D+01  0.114083D+00  0.253105D+01
               101           102           103           104           105 
      1   0.383979D+00  0.117544D+01  0.420235D-01 -0.974419D-01 -0.746852D+00
      2  -0.305086D+00  0.593403D+01 -0.124347D+01  0.618220D+00 -0.166118D+01
      3  -0.584477D+01  0.195875D+00 -0.498399D+01  0.311651D+01 -0.570378D+00
               106           107           108           109           110 
      1  -0.737366D+00  0.447473D+00  0.510876D-01 -0.539233D+00  0.368087D+00
      2  -0.273481D+01  0.630948D+00  0.290396D+00 -0.843589D+00  0.868993D+00
      3   0.178562D+01 -0.890821D+00  0.137196D+00 -0.689998D+01  0.543963D+01
               111           112           113           114           115 
      1   0.533677D+00  0.633672D+00 -0.969071D+00 -0.414572D+01 -0.514448D+00
      2   0.118604D+00  0.123370D+01 -0.202381D+01  0.405149D+00 -0.129391D+01
      3  -0.263389D+00  0.884383D+01 -0.159773D+02  0.197564D+01 -0.651785D+00
               116           117           118           119           120 
      1   0.207074D+01  0.435043D+00  0.607882D-01 -0.435787D-01  0.129939D+01
      2   0.290756D+00  0.222718D+00  0.421161D+00 -0.439682D+00  0.112365D+01
      3   0.289441D+01 -0.649605D-01  0.169753D+01 -0.188617D+01  0.366489D+00
               121           122           123           124           125 
      1  -0.328304D-01 -0.279747D+00 -0.448857D+01 -0.101381D+00  0.182861D+01
      2  -0.202773D+00  0.248526D+01 -0.247277D+01 -0.107218D+01  0.325670D+00
      3   0.616859D+00  0.174007D+02 -0.222052D+01  0.400917D+00 -0.232436D+01
               126           127           128           129           130 
      1   0.487368D+00  0.217881D+01  0.851864D+00  0.135093D+01  0.102562D+01
      2   0.160273D+00  0.753715D+00 -0.901109D+00  0.333800D+01 -0.112843D+01
      3  -0.138140D+00 -0.238443D+01 -0.355082D+01 -0.136885D+01 -0.201472D+01
               131           132           133           134           135 
      1  -0.537435D+00 -0.183808D+01  0.220115D+01  0.106398D+01  0.747428D+01
      2   0.235334D+00 -0.128972D+01  0.856871D+00 -0.104571D+01  0.121512D+02
      3   0.926354D+00 -0.117976D+01 -0.378290D+01 -0.445130D+00 -0.458619D+00
               136           137           138           139           140 
      1  -0.458011D+01 -0.131187D+01  0.508918D+01  0.827628D+00 -0.121167D+02
      2  -0.574056D+01  0.273250D+01  0.504744D+01  0.227038D+01 -0.486656D+01
      3   0.162237D+02 -0.202657D+02  0.316861D+01 -0.113519D+02 -0.994882D+01
               141           142           143           144           145 
      1  -0.189888D+01  0.230295D+01  0.454286D+01  0.144440D+02 -0.185805D+00
      2  -0.508014D+00  0.402389D+00  0.142518D+01  0.118992D+02  0.501481D+01
      3   0.772744D+01  0.249836D+01  0.729488D+01 -0.483796D+01  0.500137D+01
               146           147           148           149           150 
      1   0.328462D+00  0.293467D-02 -0.126209D+00 -0.132851D+00 -0.749215D+00
      2  -0.135195D+00  0.632485D+01 -0.545372D+00  0.113563D+01 -0.441405D+00
      3  -0.750535D+01  0.643525D+00 -0.235942D+01  0.219478D+01 -0.132344D+01
               151           152           153           154           155 
      1  -0.485870D+00  0.897921D+00 -0.157222D+00  0.123138D-01  0.505198D+00
      2   0.392332D+01 -0.926657D-01  0.144222D+01 -0.198781D+01  0.155753D+00
      3   0.758487D+00 -0.339024D+01  0.335067D+00  0.160916D+01  0.134060D+01
               156           157           158           159           160 
      1   0.115028D+00  0.311975D-01  0.228670D+00 -0.103718D+01 -0.778256D+00
      2   0.216952D+00  0.118271D+01 -0.283933D+01  0.611546D+00  0.251055D+01
      3  -0.462429D+00  0.200815D+01 -0.288719D+00  0.253260D+01 -0.963490D+00
               161           162           163           164           165 
      1   0.483235D+01  0.132660D+01 -0.126057D+01  0.196359D+01  0.109666D+01
      2   0.100566D+01 -0.204362D+02 -0.291991D+00 -0.715047D+00  0.962224D+00
      3   0.648739D+01  0.891666D+00 -0.277107D+01  0.796477D+00  0.274739D+01
               166           167           168           169           170 
      1  -0.528937D+00 -0.707599D+01 -0.665992D+01 -0.112543D+01 -0.667815D+01
      2  -0.373225D+00  0.170744D+01  0.449342D+00 -0.668219D+00  0.790312D+00
      3   0.547291D+01 -0.626404D+01 -0.306086D+01  0.384309D+01 -0.457604D+01
               171           172           173           174           175 
      1  -0.436315D+01  0.325108D+01  0.995088D+00 -0.231729D+01  0.186706D+01
      2   0.750404D+00  0.127920D+01  0.621891D+00  0.126707D+01  0.315278D+00
      3  -0.177863D+01  0.488181D+01  0.108585D+01 -0.326004D+01  0.201957D+01
               176           177           178           179           180 
      1   0.330164D+01 -0.525421D+01 -0.439744D+01 -0.922156D+01  0.178831D+02
      2  -0.621997D+00  0.864899D+00 -0.212188D+01  0.137271D+01 -0.240623D+01
      3  -0.121340D+01  0.236664D-01 -0.874802D+01 -0.271989D+01 -0.675226D+00
               181           182           183           184           185 
      1  -0.146151D+01  0.327253D+00 -0.316676D+01  0.305208D-01 -0.158831D+01
      2  -0.232911D+01 -0.360521D+00 -0.203015D+01  0.141375D+00 -0.815845D+00
      3   0.693342D+00  0.188240D+01  0.204747D+01  0.125917D+01  0.105803D+01
               186           187           188           189           190 
      1  -0.424625D+00 -0.328355D+00  0.440275D+00 -0.182763D+02  0.808513D+00
      2   0.271852D+00 -0.374607D+01 -0.239523D+01 -0.139877D+02  0.377616D+01
      3   0.785198D+00  0.278045D+01  0.275281D+01  0.382069D+01 -0.201908D+02
               191           192           193           194           195 
      1  -0.265105D+00  0.338254D+01 -0.371138D+00  0.126941D+01 -0.117978D+01
      2  -0.608958D+00  0.529926D+01 -0.101476D+01  0.102748D+01 -0.858426D+00
      3   0.463509D+00 -0.818932D+00  0.349518D+01 -0.254943D+00 -0.104186D+01
               196           197           198           199           200 
      1   0.195254D+01 -0.348345D+00 -0.470896D+00  0.238825D+01  0.145768D+01
      2   0.122449D+01 -0.798920D+00 -0.309299D+00  0.100623D+01 -0.232783D+00
      3  -0.189050D+01 -0.121608D+01 -0.108616D+01  0.871219D+01  0.754851D+01
               201           202           203           204           205 
      1  -0.334307D+01  0.184217D+01  0.574254D+01 -0.574605D+01 -0.162994D+01
      2  -0.510648D+00  0.436960D+00  0.143498D+01 -0.107351D+01 -0.180093D+01
      3  -0.298671D+01  0.102942D+02  0.183491D+02 -0.439445D+01 -0.467162D+01
               206           207 
      1  -0.272520D+01  0.183535D+01
      2  -0.144300D+01  0.436748D+00
      3  -0.544798D+01  0.421360D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.502817D-01 -0.207498D+02  0.177490D+01  0.338443D+02  0.225692D+01
      2  -0.453584D+01  0.141383D+02  0.208453D+01 -0.328158D+02 -0.753468D+01
      3   0.448556D+01  0.661153D+01 -0.385943D+01 -0.102851D+01  0.527776D+01
      4  -0.194545D+02  0.120530D+02 -0.377326D+01  0.353174D+00 -0.168523D+02
      5   0.667618D+00 -0.419114D+01  0.106861D+02  0.371300D+01  0.812297D+01
      6  -0.121323D+01 -0.989624D+00  0.105829D+02  0.623894D+01  0.307352D+01
                 6             7             8             9            10 
      1   0.970870D+00 -0.909905D+01 -0.153760D+01  0.829179D+01 -0.632479D+01
      2  -0.157750D+01  0.977085D+01  0.371040D+01 -0.134500D+02  0.141036D+01
      3   0.606635D+00 -0.671799D+00 -0.217280D+01  0.515818D+01  0.491442D+01
      4   0.802396D+01  0.728320D+00  0.793531D+01  0.168925D+02  0.936975D+01
      5   0.175328D+02  0.294738D+02  0.179211D+02 -0.663301D+01 -0.668472D+01
      6   0.304486D+01  0.101865D+02  0.128124D+02  0.161021D+01  0.878075D+00
                11            12            13            14            15 
      1   0.607073D+01 -0.488688D+01 -0.183277D+02 -0.227876D+02  0.563006D+01
      2  -0.253722D+01  0.163562D+01  0.168991D+02  0.228507D+02 -0.730417D+01
      3  -0.353351D+01  0.325126D+01  0.142860D+01 -0.630972D-01  0.167411D+01
      4   0.249961D+02  0.761589D+00 -0.245406D+02  0.116391D+02 -0.483033D+01
      5   0.298829D+00  0.212781D+02  0.925074D+01 -0.648863D+01 -0.830504D+01
      6  -0.474937D+00 -0.466094D+01 -0.461167D+01 -0.280970D+01 -0.594775D+01
                16            17            18            19            20 
      1  -0.260122D+01  0.768104D+01  0.181330D+02  0.953781D+01  0.271423D+01
      2  -0.184715D+01 -0.580877D+01 -0.219302D+02 -0.609693D+01 -0.536818D+01
      3   0.444837D+01 -0.187227D+01  0.379718D+01 -0.344087D+01  0.265395D+01
      4   0.109310D+02 -0.155256D+01 -0.464360D+01  0.742801D+01 -0.250924D+02
      5   0.397136D+02 -0.709761D+01  0.766560D+01 -0.193183D+01  0.270804D+01
      6  -0.274837D+01  0.617553D+01  0.312306D+01 -0.119814D+00 -0.178156D+01
                21            22            23            24            25 
      1   0.837381D+00  0.536099D+01  0.500479D+01 -0.402127D+01 -0.864017D+00
      2  -0.258249D+01  0.187823D+01 -0.113677D+02  0.569684D+01 -0.702204D-01
      3   0.174510D+01 -0.723922D+01  0.636288D+01 -0.167557D+01  0.934237D+00
      4   0.275685D+01  0.187554D+02  0.115808D+02  0.435663D+00 -0.351965D+01
      5  -0.665067D+01 -0.324650D+01  0.807942D+00  0.477933D+01  0.151131D+01
      6  -0.808694D+01 -0.171172D+01  0.837946D+01  0.777129D+01 -0.346004D+00
                26            27            28            29            30 
      1  -0.197277D+01 -0.151527D+02 -0.358326D+02  0.103528D+02 -0.440310D+00
      2   0.662719D+01  0.233577D+01  0.169414D+02 -0.258863D+01  0.244682D+00
      3  -0.465442D+01  0.128169D+02  0.188912D+02 -0.776417D+01  0.195628D+00
      4  -0.117140D+01  0.106082D+02 -0.106915D+02  0.762264D+01 -0.333759D+01
      5   0.106797D+02 -0.643765D+01  0.691000D+01 -0.245841D+01 -0.122013D+01
      6   0.150885D+02 -0.438281D+01 -0.258202D+01  0.357475D+00 -0.215510D+01
                31            32            33            34            35 
      1   0.151998D+02  0.368122D+01 -0.196861D+01 -0.705857D+01 -0.179801D+01
      2  -0.717948D+01  0.187511D+01  0.772164D+00  0.392187D+01  0.401298D+01
      3  -0.802034D+01 -0.555633D+01  0.119644D+01  0.313670D+01 -0.221497D+01
      4  -0.379324D+01  0.272796D+01 -0.191345D+01  0.170024D+01 -0.424979D+01
      5  -0.196167D+00 -0.453618D+00 -0.599215D+00  0.155197D+01  0.884251D+00
      6  -0.383886D+00 -0.724086D-01  0.391757D+00 -0.203041D+01  0.479345D+01
                36            37            38            39            40 
      1  -0.101286D+02 -0.110346D+02 -0.269343D+02  0.399967D+01 -0.198037D+02
      2  -0.186156D+01  0.118486D+02  0.181053D+02 -0.330726D+01  0.808945D+01
      3   0.119901D+02 -0.814006D+00  0.882905D+01 -0.692405D+00  0.117143D+02
      4  -0.166389D+01 -0.680587D+01 -0.164200D+01 -0.122299D+00 -0.107482D+01
      5  -0.740788D+00 -0.181359D+01 -0.217451D+01 -0.151034D+01 -0.182503D+00
      6  -0.100607D+01 -0.312447D+01 -0.212915D+01  0.222257D+01  0.698555D+00
                41            42            43            44            45 
      1  -0.155892D+02 -0.696782D+00  0.245469D+01 -0.295783D+01 -0.146779D+02
      2   0.160118D+02 -0.164050D+01 -0.394267D+01  0.284846D+01  0.348702D+01
      3  -0.422615D+00  0.233728D+01  0.148798D+01  0.109376D+00  0.111909D+02
      4  -0.734842D+01 -0.187223D+00  0.189686D+01 -0.346670D+01 -0.654572D+00
      5  -0.135872D+01 -0.639068D+00  0.106141D+01 -0.278496D+01 -0.760371D+00
      6  -0.107285D+01  0.797869D+00  0.296805D+01  0.116878D+02 -0.822325D+00
                46            47            48            49            50 
      1   0.960663D+01  0.202055D+02  0.282027D+00 -0.237509D+02  0.150517D+02
      2  -0.991151D+01 -0.139271D+02  0.167799D+01  0.207698D+02 -0.238081D+02
      3   0.304884D+00 -0.627839D+01 -0.196001D+01  0.298113D+01  0.875642D+01
      4   0.891634D+01 -0.165875D+02  0.351475D+01  0.123410D+02  0.120023D+01
      5   0.196734D+00  0.519237D+01 -0.440852D+01 -0.546584D+00 -0.363190D+01
      6   0.417306D+01 -0.165011D+01  0.223712D+01 -0.357413D+01  0.803520D+01
                51            52            53            54            55 
      1  -0.225890D+01  0.444915D+01  0.146626D+01 -0.560268D+01  0.238976D+02
      2   0.530536D+01 -0.624148D+01  0.352198D+01 -0.441811D+01 -0.777539D+01
      3  -0.304645D+01  0.179233D+01 -0.498824D+01  0.100208D+02 -0.161222D+02
      4  -0.421721D+01  0.191622D+01 -0.719185D+01 -0.162257D+02 -0.293705D+01
      5  -0.122372D+02  0.105474D+02 -0.165167D+02  0.578272D+01 -0.351154D+01
      6   0.837362D+01 -0.544042D+01  0.140107D+02 -0.108037D+01  0.359870D+01
                56            57            58            59            60 
      1  -0.152713D+02  0.261824D+00 -0.205555D+02 -0.291832D+00  0.422509D+01
      2   0.136316D+02  0.584474D+00  0.191643D+02 -0.313711D+01 -0.832523D+01
      3   0.163970D+01 -0.846298D+00  0.139126D+01  0.342894D+01  0.410014D+01
      4  -0.103656D+02  0.259275D+01 -0.164332D+02  0.127223D+02  0.828790D+01
      5   0.282636D+01 -0.931180D+01  0.329909D+01  0.890518D+01  0.298692D+01
      6   0.274668D+01  0.523317D+01  0.433188D+01 -0.912803D+01 -0.563928D+01
                61            62            63            64            65 
      1   0.144503D+02  0.679520D+00  0.666271D+01 -0.529239D+02  0.105824D+02
      2   0.733041D+01 -0.142295D+02  0.596902D+01  0.294209D+02 -0.835419D+01
      3  -0.217807D+02  0.135500D+02 -0.126317D+02  0.235030D+02 -0.222818D+01
      4   0.320992D+00  0.107069D+02  0.919546D+01  0.107171D+02  0.718926D+01
      5  -0.137069D+02  0.743662D+01 -0.314729D+02 -0.146617D+02  0.716484D+00
      6   0.101934D+02 -0.456618D+01  0.173946D+02 -0.504897D+00 -0.206958D+01
                66            67            68            69            70 
      1  -0.971038D+01  0.223907D+02  0.128755D+02 -0.107922D+01 -0.157256D+02
      2   0.541898D+01 -0.160237D+02 -0.148175D+02  0.440491D+01  0.184464D+01
      3   0.429141D+01 -0.636702D+01  0.194194D+01 -0.332569D+01  0.138810D+02
      4   0.537236D+00 -0.666501D+00 -0.260814D+01 -0.751931D+01 -0.280118D+01
      5  -0.117839D+01 -0.565236D+01 -0.787179D+01  0.632136D+01 -0.127153D+02
      6   0.589805D+00 -0.334332D+01 -0.193345D+01 -0.535939D+01 -0.286705D+01
                71            72            73            74            75 
      1   0.514860D+00 -0.395766D+00  0.261067D+02  0.915879D+01 -0.996379D+00
      2   0.122766D+01  0.155225D+02 -0.142753D+02 -0.484033D+01 -0.144407D+01
      3  -0.174252D+01 -0.151268D+02 -0.118314D+02 -0.431846D+01  0.244045D+01
      4  -0.274610D+01 -0.423534D+01  0.146611D+02  0.146834D+02  0.703965D+01
      5  -0.231576D+01  0.395665D+02  0.807166D+01  0.425983D+01  0.109729D+02
      6  -0.330759D+00  0.318850D+01  0.581104D+01  0.692471D+01 -0.552888D+01
                76            77            78            79            80 
      1  -0.899472D+01 -0.117133D+02 -0.142723D+01  0.110204D+02  0.498430D-01
      2   0.951676D+01  0.209585D+02  0.953693D-01 -0.694177D+01  0.172068D+01
      3  -0.522036D+00 -0.924519D+01  0.133186D+01 -0.407862D+01 -0.177052D+01
      4   0.145660D+02  0.185288D+02  0.703843D+01  0.719027D+01  0.769736D+01
      5   0.519270D+01  0.591828D+01 -0.464021D+01  0.121041D+02  0.740407D+01
      6   0.887323D+00  0.621285D+01  0.111710D+02  0.696666D+01  0.134583D+02
                81            82            83            84            85 
      1  -0.852877D+01 -0.119183D+02 -0.750557D+01 -0.331779D+01  0.143763D+02
      2  -0.429621D+01  0.786770D+01  0.144698D+02  0.653832D+01 -0.100775D+02
      3   0.128250D+02  0.405062D+01 -0.696421D+01 -0.322053D+01 -0.429878D+01
      4   0.993390D+01 -0.122932D+01 -0.798426D+01 -0.385152D+01  0.770524D+00
      5   0.120304D+01 -0.915315D-01 -0.125277D+01 -0.874610D+01  0.317023D+01
      6   0.277266D+01 -0.179813D+01  0.557961D+01  0.380511D+01  0.803352D+01
                86            87            88            89            90 
      1   0.419636D+02  0.164328D+01 -0.195367D+02 -0.877984D+01  0.317700D+02
      2  -0.463459D+02 -0.970768D+01  0.138667D+02 -0.633448D+01 -0.206849D+02
      3   0.438230D+01  0.806439D+01  0.567001D+01  0.151143D+02 -0.110850D+02
      4   0.260367D+01  0.448428D+01  0.430503D+01  0.608377D+01 -0.985073D+01
      5   0.399185D+01 -0.287623D+01 -0.697542D+01 -0.109281D+02  0.995982D+01
      6  -0.727095D+01 -0.170706D+02 -0.137812D+02 -0.400402D+02  0.310548D+02
                91            92            93            94            95 
      1   0.407456D+02  0.224119D+02 -0.192994D+01  0.176671D+02  0.123154D+02
      2  -0.138202D+02 -0.453564D+01  0.829866D+00  0.175772D+01  0.788590D+01
      3  -0.269254D+02 -0.178762D+02  0.110007D+01 -0.194248D+02 -0.202014D+02
      4   0.453437D+02  0.345095D+02 -0.221748D+01  0.408138D+02  0.429848D+02
      5  -0.350698D+01 -0.201024D+01  0.646672D+01 -0.418877D+01 -0.399689D+01
      6  -0.443643D+00 -0.416085D+00  0.290570D+01 -0.200451D+01 -0.195963D+01
                96            97            98            99           100 
      1  -0.144177D+01 -0.842237D-02 -0.558450D+00  0.157340D+00  0.103539D+03
      2   0.404454D+00 -0.110487D+01 -0.781189D+00  0.833409D+00 -0.585227D+02
      3   0.103731D+01  0.111329D+01  0.133964D+01 -0.990750D+00 -0.450162D+02
      4  -0.399757D+01 -0.316682D+01 -0.414006D+01  0.197694D+01 -0.271284D+02
      5   0.464322D+01  0.126890D+01  0.537656D+00 -0.495441D+00  0.110335D+02
      6   0.449935D+01  0.700834D+00  0.131264D+01 -0.976221D+00  0.167749D+00
               101           102           103           104           105 
      1  -0.187051D+02  0.719529D+01 -0.177142D+02  0.129731D+02 -0.233764D+01
      2   0.961315D+01 -0.477629D+01  0.805007D+01 -0.581267D+01  0.171828D+01
      3   0.909198D+01 -0.241900D+01  0.966414D+01 -0.716045D+01  0.619352D+00
      4   0.133331D+02 -0.191376D+01  0.213118D+02 -0.975279D+01  0.192302D+01
      5  -0.210246D+01  0.986731D+01 -0.421966D+01  0.217885D+01 -0.239188D+01
      6   0.306213D+00 -0.118194D+01  0.113408D+01 -0.419154D+00  0.215124D+01
               106           107           108           109           110 
      1   0.866049D+01 -0.324141D+01  0.230686D+01 -0.425823D+01  0.466432D+01
      2  -0.476043D+01  0.202457D+01 -0.110255D+01  0.579670D+01 -0.438666D+01
      3  -0.390006D+01  0.121684D+01 -0.120430D+01 -0.153847D+01 -0.277661D+00
      4  -0.428218D+01  0.203927D+01 -0.140442D+01 -0.161569D+01  0.711798D+01
      5   0.219474D+01 -0.445606D+00  0.126818D+01 -0.660171D+00 -0.132380D+00
      6  -0.323872D+00  0.790459D+00 -0.599620D+00 -0.919652D+00  0.128209D+01
               111           112           113           114           115 
      1  -0.122777D+01  0.498250D+01 -0.349382D+02  0.598804D+01 -0.698820D+00
      2   0.655696D+00 -0.527222D+01  0.480612D+02 -0.595284D+01  0.548977D+00
      3   0.572072D+00  0.289722D+00 -0.131230D+02 -0.351958D-01  0.149843D+00
      4  -0.412908D+00  0.521375D+01  0.135410D+02 -0.271077D+01 -0.461991D+00
      5   0.121485D+01 -0.109685D+00 -0.349650D+01  0.148227D+01  0.620339D+00
      6  -0.425008D+00  0.447623D+00 -0.103793D+02  0.760007D+01 -0.110629D+00
               116           117           118           119           120 
      1   0.560576D+01 -0.228170D+01  0.300097D+01 -0.355086D+01  0.362751D+00
      2  -0.700146D+01  0.264667D+01  0.310518D+01 -0.368850D+01  0.982242D-01
      3   0.139570D+01 -0.364970D+00 -0.610615D+01  0.723936D+01 -0.460975D+00
      4  -0.165289D+01 -0.661600D+00 -0.137420D+02  0.188786D+02 -0.265678D+01
      5  -0.381217D-01  0.605944D+00  0.215790D+01 -0.281646D+01  0.317794D+01
      6   0.389098D+01 -0.214053D+01 -0.157145D+01  0.202915D+01 -0.201822D+01
               121           122           123           124           125 
      1   0.917555D+00 -0.203988D+02  0.277811D+01 -0.356402D-01  0.221323D+01
      2  -0.934290D+01  0.413408D+02 -0.378303D+01  0.145241D+01 -0.418386D+01
      3   0.842534D+01 -0.209421D+02  0.100492D+01 -0.141677D+01  0.197063D+01
      4   0.210745D+02 -0.467489D+02  0.608585D+01 -0.399157D+01  0.684218D+01
      5  -0.297851D+01  0.619041D+01 -0.437011D+01  0.134697D+01 -0.144227D+01
      6   0.308644D+01 -0.880962D+01  0.763298D+01 -0.158855D+01  0.395001D+01
               126           127           128           129           130 
      1  -0.204023D+01  0.324966D+01  0.124473D+01  0.257627D+01  0.325508D+01
      2   0.288005D+01 -0.697802D+01 -0.142959D+01 -0.414143D+01 -0.378883D+01
      3  -0.839818D+00  0.372836D+01  0.184866D+00  0.156517D+01  0.533744D+00
      4  -0.175000D+01 -0.316248D+01  0.666609D+01 -0.367636D+01  0.911235D+01
      5   0.827535D+00  0.963291D+01 -0.254847D+01  0.143639D+02 -0.211204D+01
      6  -0.236750D+01 -0.460362D+01  0.871392D+00 -0.340164D+01  0.199042D+01
               131           132           133           134           135 
      1  -0.479795D+01  0.140132D+01 -0.271917D+01  0.467287D+01 -0.157994D+02
      2   0.239678D+01 -0.959956D+00 -0.830958D+01 -0.280897D-01 -0.174191D+02
      3   0.240117D+01 -0.441367D+00  0.110287D+02 -0.464478D+01  0.332185D+02
      4  -0.718861D+01  0.368784D+01 -0.804389D+01  0.656532D+01 -0.691363D+01
      5   0.339947D+01 -0.315106D+01  0.195750D+02 -0.676470D+01  0.326769D+02
      6  -0.211035D+01  0.934349D+01 -0.886923D+01  0.765233D+01 -0.198022D+02
               136           137           138           139           140 
      1  -0.345335D+02  0.299125D+02 -0.112233D+01  0.258306D+02  0.763382D+01
      2   0.690390D+01 -0.275472D+02  0.557082D+01 -0.266819D+02 -0.119237D+02
      3   0.276296D+02 -0.236533D+01 -0.444850D+01  0.851294D+00  0.428984D+01
      4   0.431429D+02 -0.842951D+01  0.235326D+01  0.489933D+01 -0.141577D+02
      5  -0.367729D+00 -0.205405D+01  0.684040D+01 -0.121311D+01 -0.119350D+02
      6   0.521002D+01 -0.852699D+00 -0.826847D+01 -0.272435D+01  0.193469D+02
               141           142           143           144           145 
      1  -0.111228D+02 -0.343065D+01 -0.970554D+01  0.143561D+02  0.831539D+02
      2   0.173081D+02 -0.161983D+00  0.213579D+02  0.353242D+01 -0.476637D+02
      3  -0.618524D+01  0.359263D+01 -0.116523D+02 -0.178885D+02 -0.354902D+02
      4  -0.797911D+01  0.759912D+01 -0.126552D+02 -0.806635D+01  0.796217D-03
      5  -0.412869D+00  0.682736D+01 -0.107064D+01  0.172998D+02  0.113420D+02
      6   0.382133D+01 -0.801298D+01  0.134106D+01 -0.244144D+02  0.914406D+00
               146           147           148           149           150 
      1  -0.463492D+01  0.965861D+01 -0.109791D+02  0.695628D+01 -0.528514D+00
      2   0.320882D+01 -0.554799D+01  0.649887D+01 -0.225983D+01  0.932935D+00
      3   0.142610D+01 -0.411063D+01  0.448023D+01 -0.469645D+01 -0.404421D+00
      4   0.924124D+01  0.442430D-01  0.124909D+02 -0.255651D+01  0.249037D+01
      5  -0.348457D+00  0.102600D+02 -0.106114D+01  0.283528D+01 -0.623486D+00
      6   0.467184D+00  0.343365D+00  0.598420D+00  0.240398D+00  0.160936D+01
               151           152           153           154           155 
      1   0.166853D+02 -0.105937D+01  0.878812D+01  0.810883D+01 -0.272408D+00
      2  -0.107853D+02  0.951325D+00 -0.782125D+01 -0.677178D+01  0.125797D+00
      3  -0.589995D+01  0.108048D+00 -0.966865D+00 -0.133705D+01  0.146611D+00
      4  -0.625353D+00  0.392170D+01  0.137851D+00  0.769616D+00 -0.868825D+00
      5   0.148964D+02 -0.487091D+00  0.440758D+01 -0.606146D+01 -0.146272D+00
      6   0.481984D+00  0.950039D+00 -0.104826D+00 -0.916206D+00  0.241283D-01
               156           157           158           159           160 
      1  -0.513036D+01 -0.964375D-01 -0.332334D+01  0.183776D+01 -0.815578D+01
      2   0.309820D+01  0.446157D+00  0.488464D+00 -0.657615D+00  0.120566D+02
      3   0.203216D+01 -0.349719D+00  0.283487D+01 -0.118014D+01 -0.390077D+01
      4  -0.103939D+01  0.318846D+01  0.122256D+01 -0.507814D+01 -0.138310D+01
      5   0.395929D+01  0.575008D-02 -0.487049D+01  0.143897D+01  0.192812D+02
      6   0.137748D+00 -0.174177D+01 -0.154758D+01  0.804105D+01  0.239194D+01
               161           162           163           164           165 
      1   0.675096D+00 -0.414166D+01 -0.112299D+01  0.996580D+01  0.381181D+01
      2  -0.103980D+01 -0.214273D+02  0.373360D+01 -0.143262D+02 -0.366639D+01
      3   0.364703D+00  0.255689D+02 -0.261061D+01  0.436045D+01 -0.145414D+00
      4  -0.783089D+01  0.300394D+01 -0.246709D+01  0.948231D+01  0.329159D+01
      5   0.120146D+01 -0.400004D+02 -0.215516D+00  0.131377D+01  0.272797D+01
      6   0.407136D+01 -0.611606D+01  0.413066D+01 -0.470959D+01 -0.181789D+01
               166           167           168           169           170 
      1  -0.123521D+01 -0.421994D+02 -0.104357D+02  0.234950D+01 -0.174743D+02
      2   0.137555D+01  0.615524D+02  0.154747D+02 -0.773049D+00  0.239314D+02
      3  -0.140332D+00 -0.193530D+02 -0.503903D+01 -0.157645D+01 -0.645716D+01
      4   0.623547D+01  0.221991D+01 -0.194418D+00  0.365663D+01  0.357319D+00
      5   0.660875D+00  0.126105D+01  0.154529D+01  0.254795D+01  0.252279D+01
      6  -0.156619D+00  0.193398D+02  0.127844D+02  0.231169D+01  0.210556D+02
               171           172           173           174           175 
      1  -0.136062D+02 -0.206979D+00 -0.748781D-01  0.707216D+00 -0.379678D+01
      2   0.131413D+02 -0.152492D+01 -0.560167D+00  0.509323D+00  0.448714D+01
      3   0.464829D+00  0.173190D+01  0.635045D+00 -0.121654D+01 -0.690363D+00
      4   0.927150D+00  0.558129D+01  0.768875D+01 -0.603821D+01  0.435555D+01
      5  -0.166475D+00 -0.453103D+01 -0.412840D+01  0.913468D+01 -0.215595D+01
      6   0.976085D+01 -0.746020D+01 -0.403551D+01  0.514610D+01 -0.422661D+01
               176           177           178           179           180 
      1  -0.211239D+02  0.982514D+01  0.608242D+01  0.247236D+02 -0.298736D+02
      2   0.223877D+02 -0.909970D+01 -0.350766D+01 -0.160425D+02  0.987125D+01
      3  -0.126375D+01 -0.725434D+00 -0.257475D+01 -0.868109D+01  0.200023D+02
      4   0.673880D+01 -0.455503D+01 -0.100750D+02 -0.888334D+01  0.866889D+01
      5  -0.460194D+01  0.358164D+01  0.841570D+01  0.102244D+02 -0.127311D+02
      6  -0.156456D+02  0.154388D+02  0.103921D+02  0.337663D+02 -0.405676D+02
               181           182           183           184           185 
      1   0.106825D+01 -0.511348D+01 -0.550038D+01 -0.168708D+01 -0.434432D+01
      2  -0.172786D+01  0.515361D+01  0.333614D+00  0.130502D+01  0.320496D+01
      3   0.659612D+00 -0.401339D-01  0.516676D+01  0.382064D+00  0.113936D+01
      4  -0.191443D+01  0.661012D+00  0.307517D+01  0.709688D-01  0.128267D+01
      5  -0.134896D+01  0.484348D+00  0.538304D+00 -0.427255D+00 -0.726063D+00
      6   0.279285D+01  0.206060D+01  0.588927D+01  0.277513D+00  0.208574D+01
               186           187           188           189           190 
      1  -0.148875D+01 -0.385966D+01 -0.675747D+01 -0.201378D+02  0.534790D+02
      2   0.297580D+01  0.795682D+00  0.582451D+01 -0.798720D+01 -0.166408D+02
      3  -0.148705D+01  0.306398D+01  0.932964D+00  0.281250D+02 -0.368382D+02
      4  -0.115085D+01  0.716232D+01 -0.622083D+01  0.170808D+00 -0.584807D+02
      5   0.839306D+00  0.520198D+01 -0.469001D+01 -0.219341D+02 -0.527652D+01
      6   0.455785D+01 -0.514934D+00  0.111704D+02  0.338930D+02  0.581934D+00
               191           192           193           194           195 
      1  -0.130741D+02  0.171462D+01 -0.561612D+01  0.306600D+01  0.782071D+00
      2  -0.313885D+01 -0.605965D+00 -0.339148D+01  0.588070D+01 -0.165278D+01
      3   0.162129D+02 -0.110866D+01  0.900760D+01 -0.894670D+01  0.870704D+00
      4   0.316919D+02 -0.267872D-01  0.181969D+02 -0.131264D+02  0.945815D+00
      5   0.236664D+01  0.899645D+01  0.918479D+00  0.556175D+00 -0.156870D+01
      6  -0.213321D+01 -0.641141D+01 -0.843878D+00 -0.794041D+00  0.203285D+01
               196           197           198           199           200 
      1   0.345632D+01  0.103197D+01  0.317481D+01 -0.213856D+01 -0.151105D+02
      2  -0.117506D+01 -0.336582D+01 -0.244173D+01  0.659175D+01  0.206389D+02
      3  -0.228126D+01  0.233385D+01 -0.733083D+00 -0.445319D+01 -0.552848D+01
      4  -0.470524D+01  0.362844D+01 -0.533522D+01  0.913239D+00  0.152657D+01
      5   0.951419D+01 -0.389385D+01 -0.890862D-01  0.144320D+01  0.134457D+01
      6  -0.552639D+01  0.371497D+01  0.101732D+01 -0.300116D+01 -0.140718D+01
               201           202           203           204           205 
      1   0.213643D+01 -0.941059D+01 -0.331848D+02  0.696064D+01  0.365660D+01
      2  -0.373659D+01  0.106220D+02  0.539406D+02 -0.108982D+02 -0.249495D+01
      3   0.160015D+01 -0.121142D+01 -0.207557D+02  0.393761D+01 -0.116165D+01
      4  -0.175349D+01  0.669567D+01 -0.114380D+02  0.172248D+01 -0.435107D+01
      5  -0.164682D+01  0.207937D+01  0.526406D+01 -0.333608D+01 -0.319514D+00
      6   0.486357D+01 -0.161004D+01 -0.761403D+01  0.876603D+01  0.278167D+01
               206           207 
      1   0.976370D+01 -0.848182D+01
      2  -0.157084D+02  0.741247D+01
      3   0.594468D+01  0.106935D+01
      4   0.598401D+01 -0.110553D+00
      5  -0.312192D+01  0.989978D+00
      6   0.961559D+01 -0.428710D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.145743D+00      0.370443D+00      0.123566D+01
   y          0.325034D+00      0.826155D+00      0.275576D+01
   z          0.264045D+00      0.671136D+00      0.223867D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.140762D+03      0.208588D+02      0.232085D+02
   yx        -0.306459D+01     -0.454125D+00     -0.505282D+00
   yy         0.125808D+03      0.186429D+02      0.207430D+02
   zx         0.749567D+00      0.111074D+00      0.123587D+00
   zy        -0.470672D+01     -0.697465D+00     -0.776034D+00
   zz         0.775811D+02      0.114963D+02      0.127914D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.125374D+03      0.185784D+02      0.206713D+02
   aniso      0.620380D+02      0.919309D+01      0.102287D+02
   xx         0.153937D+03      0.228112D+02      0.253808D+02
   yx        -0.278520D+01     -0.412725D+00     -0.459218D+00
   yy         0.136371D+03      0.202081D+02      0.224846D+02
   zx         0.792208D+00      0.117393D+00      0.130617D+00
   zy        -0.485276D+01     -0.719104D+00     -0.800112D+00
   zz         0.858122D+02      0.127160D+02      0.141485D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.11940560          0.76234478          2.90068162
     6          4.96802066         -1.30344315          1.51646181
     6          1.75602990          1.78149465          2.40532750
     6          0.19153261          0.77300257          0.53553123
     6          1.06831974         -1.28817595         -0.86632251
     6          3.44019890         -2.31161053         -0.35704685
     6         -2.38850072          1.89753917         -0.02496951
     6         -3.93702916          0.06579958         -1.62691435
     8         -2.53572682         -0.84992042         -3.71311558
     6         -0.54501922         -2.44176174         -2.91633599
     1          5.29690753          1.57856270          4.36053134
     1          6.81083143         -2.11015173          1.88572780
     1          1.11963508          3.39052865          3.49460750
     1          4.09906380         -3.90930328         -1.45829771
     1         -2.09698021          3.60226998         -1.16552984
     6         -3.87681498          2.63116950          2.34225109
     1         -5.59990352          1.00474854         -2.39997143
     1         -4.58315355         -1.52474227         -0.45201327
     1          0.59442571         -2.83084029         -4.58924234
     1         -1.32301899         -4.25477654         -2.25274808
     1         -4.10278264          1.01084118          3.59991666
     1         -5.75565968          3.31266834          1.82604672
     1         -2.95041874          4.13141277          3.40391193

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.443405D+00      0.112702D+01      0.375935D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.133531D+03      0.197873D+02      0.220164D+02
   yx        -0.156602D+02     -0.232060D+01     -0.258202D+01
   yy         0.105591D+03      0.156469D+02      0.174096D+02
   zx         0.139723D+02      0.207048D+01      0.230372D+01
   zy         0.204035D+02      0.302349D+01      0.336409D+01
   zz         0.105029D+03      0.155638D+02      0.173170D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.125374D+03      0.185784D+02      0.206713D+02
   aniso      0.620380D+02      0.919309D+01      0.102287D+02
   xx         0.145994D+03      0.216340D+02      0.240711D+02
   yx        -0.164221D+02     -0.243350D+01     -0.270763D+01
   yy         0.115056D+03      0.170495D+02      0.189701D+02
   zx         0.154737D+02      0.229296D+01      0.255126D+01
   zy         0.213284D+02      0.316054D+01      0.351657D+01
   zz         0.115071D+03      0.170518D+02      0.189727D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-10\Freq\RB3LYP\Gen\C10H12O1\PIERPA\08-Jul-2021\0\\#P 
 B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm
 ,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calculat
 ions.\\0,1\C,2.475896,1.06355,-0.098164\C,2.818875,-0.266215,0.11937\C
 ,1.142334,1.41794,-0.238522\C,0.125866,0.46372,-0.164411\C,0.479308,-0
 .873519,0.040878\C,1.819829,-1.224692,0.185806\C,-1.334336,0.847139,-0
 .328494\C,-2.230548,-0.293378,0.14659\O,-1.82891,-1.535993,-0.399339\C
 ,-0.581007,-1.944665,0.122977\H,3.245503,1.822195,-0.159561\H,3.856711
 ,-0.553358,0.228132\H,0.889253,2.456036,-0.408732\H,2.081007,-2.265247
 ,0.343936\H,-1.525132,0.979693,-1.399895\C,-1.71547,2.141812,0.391759\
 H,-3.260415,-0.130838,-0.17201\H,-2.217846,-0.344198,1.246196\H,-0.278
 754,-2.821206,-0.451456\H,-0.704522,-2.261367,1.170694\H,-1.47871,2.07
 9067,1.45592\H,-2.786635,2.330893,0.291531\H,-1.193667,3.006125,-0.016
 779\\Version=ES64L-G16RevA.03\State=1-A\HF=-463.7260091\RMSD=6.418e-09
 \RMSF=4.906e-06\ZeroPoint=0.1974375\Thermal=0.206535\Dipole=0.1457435,
 0.3250343,0.2640454\DipoleDeriv=-0.0077231,0.0536235,-0.0003502,0.0809
 165,0.0272189,-0.0156821,-0.0081379,-0.0175381,-0.1431433,0.0448469,-0
 .0229569,0.0197562,-0.0530654,-0.0403348,-0.0235311,0.0250692,-0.01340
 65,-0.1367599,-0.1013902,0.0102947,0.0100623,-0.0244929,0.0722838,-0.0
 369426,0.0071939,-0.0318126,-0.1087854,0.1788073,-0.109927,0.0372179,-
 0.1596034,-0.1183474,-0.0164643,0.1488487,-0.0220402,-0.0561621,-0.074
 1147,0.170944,-0.0263736,0.1565179,0.0165247,-0.0106159,-0.0538205,-0.
 0048992,-0.0797217,-0.0533072,-0.0965437,0.0278821,-0.0547222,0.082362
 2,-0.0303285,-0.0041298,-0.0333375,-0.1192458,0.0528093,-0.0827817,-0.
 0112383,0.0217118,0.0474216,0.0102036,-0.0059491,0.0629873,0.1294893,0
 .4025839,-0.0243454,-0.0218175,-0.1247408,0.6179702,0.1103651,-0.14701
 19,0.0874255,0.3932469,-0.8074766,0.1442057,-0.0586583,0.2044604,-0.83
 9488,-0.0588547,-0.045088,-0.0769833,-0.4493229,0.7149679,-0.1332107,0
 .0847047,-0.1155621,0.3592289,-0.0587607,0.1643102,-0.0822117,0.435312
 5,-0.0350961,-0.082131,0.0045846,-0.0936361,-0.0182104,0.0167147,0.002
 9849,0.0164358,0.131262,-0.1040204,0.0404975,-0.0198339,0.0451327,0.05
 66021,0.0130694,-0.0207007,0.0133326,0.1309284,0.0722851,0.0445094,-0.
 0193142,0.0367941,-0.0866537,0.031633,-0.0194132,0.0303924,0.1093916,0
 .0554036,0.0240903,-0.0066368,0.0496073,-0.1049536,0.031627,-0.0120158
 ,0.0240439,0.1156697,-0.0729199,0.0325485,-0.0186068,0.026756,0.007412
 2,0.0020149,-0.0375947,0.0163555,-0.1273896,0.0510139,0.0079157,0.0154
 16,-0.0288075,0.020947,-0.0342162,-0.0091445,-0.0008063,0.0945031,-0.1
 68344,0.0387443,-0.02368,0.0378827,0.0175761,0.0043135,-0.0731931,0.00
 54827,0.0471992,0.0437478,0.0033319,-0.0382511,0.008633,-0.0250602,0.0
 216444,0.0755856,-0.0200618,-0.1942915,-0.0227125,0.051909,0.021233,0.
 0237435,-0.0788335,-0.044287,0.0136261,-0.0957635,0.0206875,-0.0731171
 ,-0.0531971,0.0430364,-0.0282826,-0.0114464,0.0308386,-0.0093929,0.129
 8127,-0.1571487,0.0573062,0.0004657,-0.0539221,0.0142019,0.0320239,0.0
 435226,-0.0163604,-0.0225398,-0.1186043,-0.1847682,0.0903001,-0.007396
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 LEARN FROM YESTERDAY,
 LIVE FOR TODAY,
 LOOK TO TOMORROW,
 REST THIS AFTERNOON.

           -- SNOOPY
 Job cpu time:       0 days  7 hours 45 minutes 13.4 seconds.
 Elapsed time:       0 days  0 hours 29 minutes  7.8 seconds.
 File lengths (MBytes):  RWF=    411 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:51:10 2021.
